N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide

C17H17N3O — CID 63012845

IUPACN-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H17N3O/c1-12(9-13-5-3-2-4-6-13)20-17(21)14-7-8-15-16(10-14)19-11-18-15/h2-8,10-12H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyAUPMNSJJFBLIQZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.92
Rot. Bonds4

About N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide

N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 63012845) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide
PubChem CID63012845
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H17N3O/c1-12(9-13-5-3-2-4-6-13)20-17(21)14-7-8-15-16(10-14)19-11-18-15/h2-8,10-12H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyAUPMNSJJFBLIQZ-UHFFFAOYSA-N
XLogP2.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide
CID 47105831
benzyl (2S)-2-(3H-benzimidazole-5-carbonylamino)-3-phenylpropanoate
CID 91411515
2-(3H-benzimidazole-5-carbonylamino)-3-methylbutanoic acid
CID 24700991
2-(3H-benzimidazole-5-carbonylamino)-3-methylpentanoic acid
CID 24703750
N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94798374
N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63010618
N-(1-hydroxy-4-methylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 103852402
N-(2-methylsulfinyl-1-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 71980141
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
CID 93185873
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820916
N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820918

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide (CID 63012845) is N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide is CC(Cc1ccccc1)NC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is AUPMNSJJFBLIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(9-13-5-3-2-4-6-13)20-17(21)14-7-8-15-16(10-14)19-11-18-15/h2-8,10-12H,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide?
N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 63012845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).