N-(1H-benzimidazol-2-yl)-2-methylpentanamide

C13H17N3O — CID 60629405

IUPACN-(1H-benzimidazol-2-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O/c1-3-6-9(2)12(17)16-13-14-10-7-4-5-8-11(10)15-13/h4-5,7-9H,3,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyHVTBWGWNGPPGJA-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.94
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-methylpentanamide

N-(1H-benzimidazol-2-yl)-2-methylpentanamide (PubChem CID 60629405) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-methylpentanamide
PubChem CID60629405
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(1H-benzimidazol-2-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O/c1-3-6-9(2)12(17)16-13-14-10-7-4-5-8-11(10)15-13/h4-5,7-9H,3,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyHVTBWGWNGPPGJA-UHFFFAOYSA-N
XLogP2.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-methylhexanamide
CID 75418801
(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565252
(2S,3S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565253
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide
CID 53199867
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide
CID 53199846
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide
CID 53199853
(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
CID 27649319
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 47155435
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 27649409
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
CID 47377841
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 3639132

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-methylpentanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-methylpentanamide (CID 60629405) is N-(1H-benzimidazol-2-yl)-2-methylpentanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-methylpentanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-methylpentanamide is CCCC(C)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-methylpentanamide?
The InChIKey is HVTBWGWNGPPGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-6-9(2)12(17)16-13-14-10-7-4-5-8-11(10)15-13/h4-5,7-9H,3,6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-methylpentanamide?
N-(1H-benzimidazol-2-yl)-2-methylpentanamide has a molecular weight of 231.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-methylpentanamide is sourced from PubChem (CID 60629405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).