(2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide

C15H21N3O — CID 39115835

IUPAC(2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)[C@H](C)n1cnc2ccccc21
InChIInChI=1S/C15H21N3O/c1-4-5-10-17(3)15(19)12(2)18-11-16-13-8-6-7-9-14(13)18/h6-9,11-12H,4-5,10H2,1-3H3/t12-/m0/s1
InChIKeyWFMXGNSNKRSTCQ-LBPRGKRZSA-N
MW259.35 g/mol
LogP2.86
Rot. Bonds5

About (2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide

(2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide (PubChem CID 39115835) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide
PubChem CID39115835
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)[C@H](C)n1cnc2ccccc21
InChIInChI=1S/C15H21N3O/c1-4-5-10-17(3)15(19)12(2)18-11-16-13-8-6-7-9-14(13)18/h6-9,11-12H,4-5,10H2,1-3H3/t12-/m0/s1
InChIKeyWFMXGNSNKRSTCQ-LBPRGKRZSA-N
XLogP2.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methylbenzimidazole-1-carboxamide
CID 170699007
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2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide
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2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide
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CID 50984844
N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide
CID 71618995
2-(benzimidazol-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
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(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
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CID 175730599

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide?
The IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide (CID 39115835) is (2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide?
The canonical SMILES for (2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide is CCCCN(C)C(=O)[C@H](C)n1cnc2ccccc21.
What is the InChIKey of (2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide?
The InChIKey is WFMXGNSNKRSTCQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-5-10-17(3)15(19)12(2)18-11-16-13-8-6-7-9-14(13)18/h6-9,11-12H,4-5,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide?
(2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide is sourced from PubChem (CID 39115835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).