(5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C24H27N3O — CID 97347656

IUPAC(5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)C[C@H](C(=O)N[C@@H](CCc1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C24H27N3O/c1-17-25-22-15-13-20(16-23(22)26-17)24(28)27-21(19-10-6-3-7-11-19)14-12-18-8-4-2-5-9-18/h2-11,20-21H,12-16H2,1H3,(H,25,26)(H,27,28)/t20-,21+/m1/s1
InChIKeySEKNSJVIKBTGTR-RTWAWAEBSA-N
MW373.50 g/mol
LogP4.31
Rot. Bonds6

About (5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

(5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 97347656) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID97347656
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)C[C@H](C(=O)N[C@@H](CCc1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C24H27N3O/c1-17-25-22-15-13-20(16-23(22)26-17)24(28)27-21(19-10-6-3-7-11-19)14-12-18-8-4-2-5-9-18/h2-11,20-21H,12-16H2,1H3,(H,25,26)(H,27,28)/t20-,21+/m1/s1
InChIKeySEKNSJVIKBTGTR-RTWAWAEBSA-N
XLogP4.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

2-methyl-N-(4-phenylbutan-2-yl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640388
4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674093
N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640295
2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640382
(5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663453
N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640412
methyl 2-(4-chlorophenyl)-2-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)amino]acetate
CID 90640656
N-(2-carbamoylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640444
N-[(3-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640514
2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628425
(5R)-2-methyl-N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664205
N-(4-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640425

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 97347656) is (5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)C[C@H](C(=O)N[C@@H](CCc1ccccc1)c1ccccc1)CC2.
What is the InChIKey of (5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is SEKNSJVIKBTGTR-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17-25-22-15-13-20(16-23(22)26-17)24(28)27-21(19-10-6-3-7-11-19)14-12-18-8-4-2-5-9-18/h2-11,20-21H,12-16H2,1H3,(H,25,26)(H,27,28)/t20-,21+/m1/s1.
What are the key properties of (5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 97347656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).