N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide

C17H25N3O — CID 115532400

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H25N3O/c1-4-8-13(9-5-2)17(21)18-12(3)16-19-14-10-6-7-11-15(14)20-16/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyXXWGCAWDFRCTLI-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.96
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide (PubChem CID 115532400) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
PubChem CID115532400
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H25N3O/c1-4-8-13(9-5-2)17(21)18-12(3)16-19-14-10-6-7-11-15(14)20-16/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyXXWGCAWDFRCTLI-UHFFFAOYSA-N
XLogP3.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide
CID 119836762
propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
CID 62668799
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide
CID 124589881
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 60731653
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 18144661
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111504118

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide (CID 115532400) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide is CCCC(CCC)C(=O)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide?
The InChIKey is XXWGCAWDFRCTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-8-13(9-5-2)17(21)18-12(3)16-19-14-10-6-7-11-15(14)20-16/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide has a molecular weight of 287.41 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide is sourced from PubChem (CID 115532400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).