N-[(1-methylbenzimidazol-2-yl)methyl]butanamide

C13H17N3O — CID 2974300

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2n1C
InChIInChI=1S/C13H17N3O/c1-3-6-13(17)14-9-12-15-10-7-4-5-8-11(10)16(12)2/h4-5,7-8H,3,6,9H2,1-2H3,(H,14,17)
InChIKeyNJNZADWOKUQMNU-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.99
Rot. Bonds4

About N-[(1-methylbenzimidazol-2-yl)methyl]butanamide

N-[(1-methylbenzimidazol-2-yl)methyl]butanamide (PubChem CID 2974300) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]butanamide
PubChem CID2974300
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2n1C
InChIInChI=1S/C13H17N3O/c1-3-6-13(17)14-9-12-15-10-7-4-5-8-11(10)16(12)2/h4-5,7-8H,3,6,9H2,1-2H3,(H,14,17)
InChIKeyNJNZADWOKUQMNU-UHFFFAOYSA-N
XLogP1.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]butanamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]butanamide (CID 2974300) is N-[(1-methylbenzimidazol-2-yl)methyl]butanamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]butanamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]butanamide is CCCC(=O)NCc1nc2ccccc2n1C.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]butanamide?
The InChIKey is NJNZADWOKUQMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-6-13(17)14-9-12-15-10-7-4-5-8-11(10)16(12)2/h4-5,7-8H,3,6,9H2,1-2H3,(H,14,17).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]butanamide?
N-[(1-methylbenzimidazol-2-yl)methyl]butanamide has a molecular weight of 231.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]butanamide is sourced from PubChem (CID 2974300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).