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

C14H19N3O — CID 67833301

IUPAC2-(1H-benzimidazol-2-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O/c1-2-3-6-9-15-14(18)10-13-16-11-7-4-5-8-12(11)17-13/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyWSOQFRADCKLWRR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.41
Rot. Bonds6

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

2-(1H-benzimidazol-2-yl)-N-pentylacetamide (PubChem CID 67833301) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-pentylacetamide
PubChem CID67833301
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(1H-benzimidazol-2-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O/c1-2-3-6-9-15-14(18)10-13-16-11-7-4-5-8-12(11)17-13/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyWSOQFRADCKLWRR-UHFFFAOYSA-N
XLogP2.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.41
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-butylacetamide
CID 3852846
[[2-(1H-benzimidazol-2-yl)acetyl]amino]methylphosphonic acid
CID 139908110
2-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2393619
N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide
CID 126714287
2-docosyl-1H-benzimidazole
CID 141189761
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-pentylacetamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-pentylacetamide (CID 67833301) is 2-(1H-benzimidazol-2-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-pentylacetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-pentylacetamide is CCCCCNC(=O)Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-pentylacetamide?
The InChIKey is WSOQFRADCKLWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-6-9-15-14(18)10-13-16-11-7-4-5-8-12(11)17-13/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-pentylacetamide?
2-(1H-benzimidazol-2-yl)-N-pentylacetamide has a molecular weight of 245.33 g/mol, XLogP of 2.41, 6 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-pentylacetamide is sourced from PubChem (CID 67833301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).