1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide

C14H19N3O — CID 100775917

IUPAC1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H19N3O/c1-4-5-10(2)16-14(18)11-6-7-13-12(8-11)15-9-17(13)3/h6-10H,4-5H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeyXOYLIATXSFZLGQ-SNVBAGLBSA-N
MW245.33 g/mol
LogP2.49
Rot. Bonds4

About 1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide

1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide (PubChem CID 100775917) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide
PubChem CID100775917
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H19N3O/c1-4-5-10(2)16-14(18)11-6-7-13-12(8-11)15-9-17(13)3/h6-10H,4-5H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeyXOYLIATXSFZLGQ-SNVBAGLBSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-1-methylbenzimidazole-5-carboxamide
CID 100775960
2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one
CID 116923440
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
CID 46684618
N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775922
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 46975986
4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide
CID 30332300
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
CID 110692569

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide (CID 100775917) is 1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide is CCC[C@@H](C)NC(=O)c1ccc2c(c1)ncn2C.
What is the InChIKey of 1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide?
The InChIKey is XOYLIATXSFZLGQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-5-10(2)16-14(18)11-6-7-13-12(8-11)15-9-17(13)3/h6-10H,4-5H2,1-3H3,(H,16,18)/t10-/m1/s1.
What are the key properties of 1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide?
1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 100775917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).