N-(1-benzylbenzimidazol-2-yl)propanamide

C17H17N3O — CID 867488

IUPACN-(1-benzylbenzimidazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C17H17N3O/c1-2-16(21)19-17-18-14-10-6-7-11-15(14)20(17)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19,21)
InChIKeyNKEAZJMVZVQWDU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.43
Rot. Bonds4

About N-(1-benzylbenzimidazol-2-yl)propanamide

N-(1-benzylbenzimidazol-2-yl)propanamide (PubChem CID 867488) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1-benzylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzylbenzimidazol-2-yl)propanamide
PubChem CID867488
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(1-benzylbenzimidazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C17H17N3O/c1-2-16(21)19-17-18-14-10-6-7-11-15(14)20(17)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19,21)
InChIKeyNKEAZJMVZVQWDU-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(1-benzylbenzimidazol-2-yl)propanamide (CID 867488) is N-(1-benzylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(1-benzylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(1-benzylbenzimidazol-2-yl)propanamide is CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-(1-benzylbenzimidazol-2-yl)propanamide?
The InChIKey is NKEAZJMVZVQWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-16(21)19-17-18-14-10-6-7-11-15(14)20(17)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19,21).
What are the key properties of N-(1-benzylbenzimidazol-2-yl)propanamide?
N-(1-benzylbenzimidazol-2-yl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 867488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).