2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide

C46H36Cl4N6O2 — CID 160820102

IUPAC2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1)c1ccccc1.O=C(NC1CCCc2ccccc21)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C24H19Cl2N3O.C22H17Cl2N3O/c25-17-8-4-9-18(26)22(17)23-27-20-12-11-15(13-21(20)28-23)24(30)29-19-10-3-6-14-5-1-2-7-16(14)19;1-13(14-6-3-2-4-7-14)25-22(28)15-10-11-18-19(12-15)27-21(26-18)20-16(23)8-5-9-17(20)24/h1-2,4-5,7-9,11-13,19H,3,6,10H2,(H,27,28)(H,29,30);2-13H,1H3,(H,25,28)(H,26,27)/t;13-/m.0/s1
InChIKeySFKUQAVJWILPHL-RSJBZBQMSA-N
MW846.65 g/mol
LogP12.37
Rot. Bonds7

About 2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide

2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 160820102) has the molecular formula C46H36Cl4N6O2 and a molecular weight of 846.65 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide
PubChem CID160820102
Molecular FormulaC46H36Cl4N6O2
Molecular Weight846.65 g/mol
Exact Mass844.17
IUPAC Name2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1)c1ccccc1.O=C(NC1CCCc2ccccc21)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C24H19Cl2N3O.C22H17Cl2N3O/c25-17-8-4-9-18(26)22(17)23-27-20-12-11-15(13-21(20)28-23)24(30)29-19-10-3-6-14-5-1-2-7-16(14)19;1-13(14-6-3-2-4-7-14)25-22(28)15-10-11-18-19(12-15)27-21(26-18)20-16(23)8-5-9-17(20)24/h1-2,4-5,7-9,11-13,19H,3,6,10H2,(H,27,28)(H,29,30);2-13H,1H3,(H,25,28)(H,26,27)/t;13-/m.0/s1
InChIKeySFKUQAVJWILPHL-RSJBZBQMSA-N
XLogP12.37
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.65
LogP ≤ 512.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide
CID 66966775
2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 100787163
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-indole-6-carboxamide
CID 39705283
N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965413
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 170948220
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
4-chloro-3-nitro-N-[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl]benzamide
CID 8927013
2-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 32694198

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide (CID 160820102) is 2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide is C[C@H](NC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1)c1ccccc1.O=C(NC1CCCc2ccccc21)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is SFKUQAVJWILPHL-RSJBZBQMSA-N. The full InChI is InChI=1S/C24H19Cl2N3O.C22H17Cl2N3O/c25-17-8-4-9-18(26)22(17)23-27-20-12-11-15(13-21(20)28-23)24(30)29-19-10-3-6-14-5-1-2-7-16(14)19;1-13(14-6-3-2-4-7-14)25-22(28)15-10-11-18-19(12-15)27-21(26-18)20-16(23)8-5-9-17(20)24/h1-2,4-5,7-9,11-13,19H,3,6,10H2,(H,27,28)(H,29,30);2-13H,1H3,(H,25,28)(H,26,27)/t;13-/m.0/s1.
What are the key properties of 2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide?
2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 846.65 g/mol, XLogP of 12.37, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 160820102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).