5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide

C96H72F3N25O6 — CID 167661593

IUPAC5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide
SMILESC=C1Nc2ccc(-n3c(C(F)(F)F)nc4cc(C(=O)NC)ccc43)cc2N1.CNC(=O)c1ccc2c(c1)nc(-c1cc(-c3cncn3C)nc3ccccc13)n2-c1ccc2[nH]c(=O)[nH]c2c1.CNC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc2[nH]c(=O)[nH]c2c1.Cn1cncc1-c1cc(-c2nc3ccccc3n2-c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2n1
InChIInChI=1S/C29H22N8O2.C27H19N7O.C22H17N5O2.C18H14F3N5O/c1-30-28(38)16-7-10-25-23(11-16)33-27(37(25)17-8-9-21-22(12-17)35-29(39)34-21)19-13-24(26-14-31-15-36(26)2)32-20-6-4-3-5-18(19)20;1-33-15-28-14-25(33)23-13-18(17-6-2-3-7-19(17)29-23)26-30-21-8-4-5-9-24(21)34(26)16-10-11-20-22(12-16)32-27(35)31-20;1-23-21(28)14-7-10-19-18(11-14)24-20(13-5-3-2-4-6-13)27(19)15-8-9-16-17(12-15)26-22(29)25-16;1-9-23-12-5-4-11(8-13(12)24-9)26-15-6-3-10(16(27)22-2)7-14(15)25-17(26)18(19,20)21/h3-15H,1-2H3,(H,30,38)(H2,34,35,39);2-15H,1H3,(H2,31,32,35);2-12H,1H3,(H,23,28)(H2,25,26,29);3-8,23-24H,1H2,2H3,(H,22,27)
InChIKeySANJWZYYZZYDDT-UHFFFAOYSA-N
MW1728.79 g/mol
LogP15.92
Rot. Bonds12

About 5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide

5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide (PubChem CID 167661593) has the molecular formula C96H72F3N25O6 and a molecular weight of 1728.79 g/mol. Its IUPAC name is 5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide
PubChem CID167661593
Molecular FormulaC96H72F3N25O6
Molecular Weight1728.79 g/mol
Exact Mass1727.60
IUPAC Name5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide
SMILESC=C1Nc2ccc(-n3c(C(F)(F)F)nc4cc(C(=O)NC)ccc43)cc2N1.CNC(=O)c1ccc2c(c1)nc(-c1cc(-c3cncn3C)nc3ccccc13)n2-c1ccc2[nH]c(=O)[nH]c2c1.CNC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc2[nH]c(=O)[nH]c2c1.Cn1cncc1-c1cc(-c2nc3ccccc3n2-c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2n1
InChIInChI=1S/C29H22N8O2.C27H19N7O.C22H17N5O2.C18H14F3N5O/c1-30-28(38)16-7-10-25-23(11-16)33-27(37(25)17-8-9-21-22(12-17)35-29(39)34-21)19-13-24(26-14-31-15-36(26)2)32-20-6-4-3-5-18(19)20;1-33-15-28-14-25(33)23-13-18(17-6-2-3-7-19(17)29-23)26-30-21-8-4-5-9-24(21)34(26)16-10-11-20-22(12-16)32-27(35)31-20;1-23-21(28)14-7-10-19-18(11-14)24-20(13-5-3-2-4-6-13)27(19)15-8-9-16-17(12-15)26-22(29)25-16;1-9-23-12-5-4-11(8-13(12)24-9)26-15-6-3-10(16(27)22-2)7-14(15)25-17(26)18(19,20)21/h3-15H,1-2H3,(H,30,38)(H2,34,35,39);2-15H,1H3,(H2,31,32,35);2-12H,1H3,(H,23,28)(H2,25,26,29);3-8,23-24H,1H2,2H3,(H,22,27)
InChIKeySANJWZYYZZYDDT-UHFFFAOYSA-N
XLogP15.92
TPSA390.01 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001728.79
LogP ≤ 515.92
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Analyze 5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide with MolForge

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Related Compounds

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2-(1H-indol-3-yl)-N,N-diisopentyl-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 136024005
4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]benzamide
CID 44308543
4-[[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]benzoyl]amino]-N-[4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl]phenyl]benzamide
CID 44387457
4-[[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]benzoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]benzamide
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N-benzyl-2-(2-methyl-4-pyridinyl)-3-[1-(4-phenylbenzoyl)piperidin-4-yl]benzimidazole-5-carboxamide
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US8653087, III-196
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CID 118463872
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CID 118463881

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide (CID 167661593) is 5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide is C=C1Nc2ccc(-n3c(C(F)(F)F)nc4cc(C(=O)NC)ccc43)cc2N1.CNC(=O)c1ccc2c(c1)nc(-c1cc(-c3cncn3C)nc3ccccc13)n2-c1ccc2[nH]c(=O)[nH]c2c1.CNC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc2[nH]c(=O)[nH]c2c1.Cn1cncc1-c1cc(-c2nc3ccccc3n2-c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2n1.
What is the InChIKey of 5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide?
The InChIKey is SANJWZYYZZYDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N8O2.C27H19N7O.C22H17N5O2.C18H14F3N5O/c1-30-28(38)16-7-10-25-23(11-16)33-27(37(25)17-8-9-21-22(12-17)35-29(39)34-21)19-13-24(26-14-31-15-36(26)2)32-20-6-4-3-5-18(19)20;1-33-15-28-14-25(33)23-13-18(17-6-2-3-7-19(17)29-23)26-30-21-8-4-5-9-24(21)34(26)16-10-11-20-22(12-16)32-27(35)31-20;1-23-21(28)14-7-10-19-18(11-14)24-20(13-5-3-2-4-6-13)27(19)15-8-9-16-17(12-15)26-22(29)25-16;1-9-23-12-5-4-11(8-13(12)24-9)26-15-6-3-10(16(27)22-2)7-14(15)25-17(26)18(19,20)21/h3-15H,1-2H3,(H,30,38)(H2,34,35,39);2-15H,1H3,(H2,31,32,35);2-12H,1H3,(H,23,28)(H2,25,26,29);3-8,23-24H,1H2,2H3,(H,22,27).
What are the key properties of 5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide?
5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide has a molecular weight of 1728.79 g/mol, XLogP of 15.92, 12 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 167661593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).