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

C44H34Cl4N6O2 — CID 160994973

IUPAC2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1)c1ccccc1.C[C@H](NC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1)c1ccccc1
InChIInChI=1S/2C22H17Cl2N3O/c2*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/h2*2-13H,1H3,(H,25,28)(H,26,27)/t2*13-/m10/s1
InChIKeyTVCUOBVOIOUEPO-JACLSRQLSA-N
MW820.61 g/mol
LogP12.06
Rot. Bonds8

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

2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 160994973) has the molecular formula C44H34Cl4N6O2 and a molecular weight of 820.61 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
PubChem CID160994973
Molecular FormulaC44H34Cl4N6O2
Molecular Weight820.61 g/mol
Exact Mass818.15
IUPAC Name2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1)c1ccccc1.C[C@H](NC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1)c1ccccc1
InChIInChI=1S/2C22H17Cl2N3O/c2*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/h2*2-13H,1H3,(H,25,28)(H,26,27)/t2*13-/m10/s1
InChIKeyTVCUOBVOIOUEPO-JACLSRQLSA-N
XLogP12.06
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.61
LogP ≤ 512.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide
CID 66966775
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
2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 100787163
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 66965626
4-(1H-benzimidazol-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 100577391
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965567
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965604
2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole
CID 143659620
2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide
CID 100787147

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 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) is 2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide is C[C@@H](NC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1)c1ccccc1.C[C@H](NC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1)c1ccccc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is TVCUOBVOIOUEPO-JACLSRQLSA-N. The full InChI is InChI=1S/2C22H17Cl2N3O/c2*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/h2*2-13H,1H3,(H,25,28)(H,26,27)/t2*13-/m10/s1.
What are the key properties of 2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide?
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 820.61 g/mol, XLogP of 12.06, 8 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-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 160994973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).