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

C13H17N3O — CID 3852846

IUPAC2-(1H-benzimidazol-2-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O/c1-2-3-8-14-13(17)9-12-15-10-6-4-5-7-11(10)16-12/h4-7H,2-3,8-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyGACXFDYWYZDBMR-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.02
Rot. Bonds5

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

2-(1H-benzimidazol-2-yl)-N-butylacetamide (PubChem CID 3852846) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-butylacetamide
PubChem CID3852846
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(1H-benzimidazol-2-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O/c1-2-3-8-14-13(17)9-12-15-10-6-4-5-7-11(10)16-12/h4-7H,2-3,8-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyGACXFDYWYZDBMR-UHFFFAOYSA-N
XLogP2.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzimidazol-2-yl)-N-pentylacetamide
CID 67833301
[[2-(1H-benzimidazol-2-yl)acetyl]amino]methylphosphonic acid
CID 139908110
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
1H-benzimidazole-2-carbonyl(butylcarbamoyl)carbamic acid
CID 23218288
2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2393619
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
4-(1H-benzimidazol-2-yl)-N-butylbenzamide
CID 100577263
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
CID 47120671
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 30358126

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-butylacetamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-butylacetamide (CID 3852846) is 2-(1H-benzimidazol-2-yl)-N-butylacetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-butylacetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-butylacetamide is CCCCNC(=O)Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-butylacetamide?
The InChIKey is GACXFDYWYZDBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-3-8-14-13(17)9-12-15-10-6-4-5-7-11(10)16-12/h4-7H,2-3,8-9H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-butylacetamide?
2-(1H-benzimidazol-2-yl)-N-butylacetamide has a molecular weight of 231.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-butylacetamide is sourced from PubChem (CID 3852846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).