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

C14H19N3O — CID 3297038

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCC(=O)NC(C)c1nc2ccccc2n1C
InChIInChI=1S/C14H19N3O/c1-4-7-13(18)15-10(2)14-16-11-8-5-6-9-12(11)17(14)3/h5-6,8-10H,4,7H2,1-3H3,(H,15,18)
InChIKeyLPBOGNDRJBAMMV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.55
Rot. Bonds4

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

N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide (PubChem CID 3297038) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide
PubChem CID3297038
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCC(=O)NC(C)c1nc2ccccc2n1C
InChIInChI=1S/C14H19N3O/c1-4-7-13(18)15-10(2)14-16-11-8-5-6-9-12(11)17(14)3/h5-6,8-10H,4,7H2,1-3H3,(H,15,18)
InChIKeyLPBOGNDRJBAMMV-UHFFFAOYSA-N
XLogP2.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide (CID 3297038) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide is CCCC(=O)NC(C)c1nc2ccccc2n1C.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
The InChIKey is LPBOGNDRJBAMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-7-13(18)15-10(2)14-16-11-8-5-6-9-12(11)17(14)3/h5-6,8-10H,4,7H2,1-3H3,(H,15,18).
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide has a molecular weight of 245.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 3297038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).