N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide

C16H23N3O — CID 47105831

IUPACN-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H23N3O/c1-11(2)5-4-6-12(3)19-16(20)13-7-8-14-15(9-13)18-10-17-14/h7-12H,4-6H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyWANAYGPVDGSXAP-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.51
Rot. Bonds6

About N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide

N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 47105831) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide
PubChem CID47105831
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H23N3O/c1-11(2)5-4-6-12(3)19-16(20)13-7-8-14-15(9-13)18-10-17-14/h7-12H,4-6H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyWANAYGPVDGSXAP-UHFFFAOYSA-N
XLogP3.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 63012845
N-(1-hydroxy-4-methylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 103852402
N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide
CID 113304625
N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820918
N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820916
2-(3H-benzimidazole-5-carbonylamino)-3-methylbutanoic acid
CID 24700991
N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94798374
N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide
CID 80698335
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
CID 93185873
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 106353049
2-(3H-benzimidazole-5-carbonylamino)-3-methylpentanoic acid
CID 24703750
N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide
CID 79679920

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide (CID 47105831) is N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide is CC(C)CCCC(C)NC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is WANAYGPVDGSXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)5-4-6-12(3)19-16(20)13-7-8-14-15(9-13)18-10-17-14/h7-12H,4-6H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide?
N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 47105831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).