3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate

C122H118Cl8N32O11 — CID 160838903

IUPAC3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N4CCOCC4)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.CNC(=O)c1cccc(C[C@H](NC(=O)NCc2cc(Cl)ccc2-n2cnnn2)c2nc(-c3ccc(C)cc3)c(Cl)[nH]2)c1.Cc1ccc(-c2nc([C@H](Cc3cccc(C(=O)O)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cc(Cl)ccc3N3CCCC3)[nH]c2Cl)cc1
InChIInChI=1S/C35H36Cl2N10O5.C30H31Cl2N5O.C29H27Cl2N9O2.C28H24Cl2N8O3/c1-2-14-52-35(50)40-27-9-6-23(7-10-27)30-31(37)43-32(42-30)28(18-22-4-3-5-24(17-22)33(48)46-12-15-51-16-13-46)41-34(49)38-20-25-19-26(36)8-11-29(25)47-21-39-44-45-47;1-20-9-11-22(12-10-20)27-28(32)36-29(35-27)25(17-21-7-3-2-4-8-21)34-30(38)33-19-23-18-24(31)13-14-26(23)37-15-5-6-16-37;1-17-6-8-19(9-7-17)25-26(31)37-27(36-25)23(13-18-4-3-5-20(12-18)28(41)32-2)35-29(42)33-15-21-14-22(30)10-11-24(21)40-16-34-38-39-40;1-16-5-7-18(8-6-16)24-25(30)35-26(34-24)22(12-17-3-2-4-19(11-17)27(39)40)33-28(41)31-14-20-13-21(29)9-10-23(20)38-15-32-36-37-38/h3-11,17,19,21,28H,2,12-16,18,20H2,1H3,(H,40,50)(H,42,43)(H2,38,41,49);2-4,7-14,18,25H,5-6,15-17,19H2,1H3,(H,35,36)(H2,33,34,38);3-12,14,16,23H,13,15H2,1-2H3,(H,32,41)(H,36,37)(H2,33,35,42);2-11,13,15,22H,12,14H2,1H3,(H,34,35)(H,39,40)(H2,31,33,41)/t28-;25-;23-;22-/m0000/s1
InChIKeySHTORNFHGVHFMU-CCEVJIOXSA-N
MW2492.12 g/mol
LogP22.61
Rot. Bonds38

About 3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate

3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate (PubChem CID 160838903) has the molecular formula C122H118Cl8N32O11 and a molecular weight of 2492.12 g/mol. Its IUPAC name is 3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate.

Molecular Properties

Compound Name3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate
PubChem CID160838903
Molecular FormulaC122H118Cl8N32O11
Molecular Weight2492.12 g/mol
Exact Mass2486.72
IUPAC Name3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N4CCOCC4)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.CNC(=O)c1cccc(C[C@H](NC(=O)NCc2cc(Cl)ccc2-n2cnnn2)c2nc(-c3ccc(C)cc3)c(Cl)[nH]2)c1.Cc1ccc(-c2nc([C@H](Cc3cccc(C(=O)O)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cc(Cl)ccc3N3CCCC3)[nH]c2Cl)cc1
InChIInChI=1S/C35H36Cl2N10O5.C30H31Cl2N5O.C29H27Cl2N9O2.C28H24Cl2N8O3/c1-2-14-52-35(50)40-27-9-6-23(7-10-27)30-31(37)43-32(42-30)28(18-22-4-3-5-24(17-22)33(48)46-12-15-51-16-13-46)41-34(49)38-20-25-19-26(36)8-11-29(25)47-21-39-44-45-47;1-20-9-11-22(12-10-20)27-28(32)36-29(35-27)25(17-21-7-3-2-4-8-21)34-30(38)33-19-23-18-24(31)13-14-26(23)37-15-5-6-16-37;1-17-6-8-19(9-7-17)25-26(31)37-27(36-25)23(13-18-4-3-5-20(12-18)28(41)32-2)35-29(42)33-15-21-14-22(30)10-11-24(21)40-16-34-38-39-40;1-16-5-7-18(8-6-16)24-25(30)35-26(34-24)22(12-17-3-2-4-19(11-17)27(39)40)33-28(41)31-14-20-13-21(29)9-10-23(20)38-15-32-36-37-38/h3-11,17,19,21,28H,2,12-16,18,20H2,1H3,(H,40,50)(H,42,43)(H2,38,41,49);2-4,7-14,18,25H,5-6,15-17,19H2,1H3,(H,35,36)(H2,33,34,38);3-12,14,16,23H,13,15H2,1-2H3,(H,32,41)(H,36,37)(H2,33,35,42);2-11,13,15,22H,12,14H2,1H3,(H,34,35)(H,39,40)(H2,31,33,41)/t28-;25-;23-;22-/m0000/s1
InChIKeySHTORNFHGVHFMU-CCEVJIOXSA-N
XLogP22.61
TPSA547.55 Ų
H-Bond Donors15
H-Bond Acceptors27
Rotatable Bonds38
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002492.12
LogP ≤ 522.61
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1027

Analyze 3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate with MolForge

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Related Compounds

methyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid
CID 24764688
3-[(2S)-2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;2,2,2-trifluoroacetic acid
CID 24764778
2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid
CID 24764867
methyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate
CID 24764689
3-[(2S)-2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid
CID 24764779
2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate
CID 24764868
methyl 3-[(2S)-2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoate
CID 66938895
3-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid
CID 66938896
methyl 3-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoate
CID 66938897
3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid
CID 68195856
propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate
CID 68195860
[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamic acid
CID 70314578

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate?
The IUPAC name of 3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate (CID 160838903) is 3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate.
What is the SMILES notation for 3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate?
The canonical SMILES for 3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate is CCCOC(=O)Nc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N4CCOCC4)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.CNC(=O)c1cccc(C[C@H](NC(=O)NCc2cc(Cl)ccc2-n2cnnn2)c2nc(-c3ccc(C)cc3)c(Cl)[nH]2)c1.Cc1ccc(-c2nc([C@H](Cc3cccc(C(=O)O)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cc(Cl)ccc3N3CCCC3)[nH]c2Cl)cc1.
What is the InChIKey of 3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate?
The InChIKey is SHTORNFHGVHFMU-CCEVJIOXSA-N. The full InChI is InChI=1S/C35H36Cl2N10O5.C30H31Cl2N5O.C29H27Cl2N9O2.C28H24Cl2N8O3/c1-2-14-52-35(50)40-27-9-6-23(7-10-27)30-31(37)43-32(42-30)28(18-22-4-3-5-24(17-22)33(48)46-12-15-51-16-13-46)41-34(49)38-20-25-19-26(36)8-11-29(25)47-21-39-44-45-47;1-20-9-11-22(12-10-20)27-28(32)36-29(35-27)25(17-21-7-3-2-4-8-21)34-30(38)33-19-23-18-24(31)13-14-26(23)37-15-5-6-16-37;1-17-6-8-19(9-7-17)25-26(31)37-27(36-25)23(13-18-4-3-5-20(12-18)28(41)32-2)35-29(42)33-15-21-14-22(30)10-11-24(21)40-16-34-38-39-40;1-16-5-7-18(8-6-16)24-25(30)35-26(34-24)22(12-17-3-2-4-19(11-17)27(39)40)33-28(41)31-14-20-13-21(29)9-10-23(20)38-15-32-36-37-38/h3-11,17,19,21,28H,2,12-16,18,20H2,1H3,(H,40,50)(H,42,43)(H2,38,41,49);2-4,7-14,18,25H,5-6,15-17,19H2,1H3,(H,35,36)(H2,33,34,38);3-12,14,16,23H,13,15H2,1-2H3,(H,32,41)(H,36,37)(H2,33,35,42);2-11,13,15,22H,12,14H2,1H3,(H,34,35)(H,39,40)(H2,31,33,41)/t28-;25-;23-;22-/m0000/s1.
What are the key properties of 3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate?
3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate has a molecular weight of 2492.12 g/mol, XLogP of 22.61, 38 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate is sourced from PubChem (CID 160838903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).