N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide

C14H23N3O — CID 113081601

IUPACN-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1nc2c(n1C)CCCC2
InChIInChI=1S/C14H23N3O/c1-3-4-9-14(18)15-10-13-16-11-7-5-6-8-12(11)17(13)2/h3-10H2,1-2H3,(H,15,18)
InChIKeyCRQOAZGSVNQIOK-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.11
Rot. Bonds5

About N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide

N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide (PubChem CID 113081601) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide
PubChem CID113081601
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1nc2c(n1C)CCCC2
InChIInChI=1S/C14H23N3O/c1-3-4-9-14(18)15-10-13-16-11-7-5-6-8-12(11)17(13)2/h3-10H2,1-2H3,(H,15,18)
InChIKeyCRQOAZGSVNQIOK-UHFFFAOYSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide 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-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide?
The IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide (CID 113081601) is N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide.
What is the SMILES notation for N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide?
The canonical SMILES for N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide is CCCCC(=O)NCc1nc2c(n1C)CCCC2.
What is the InChIKey of N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide?
The InChIKey is CRQOAZGSVNQIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-4-9-14(18)15-10-13-16-11-7-5-6-8-12(11)17(13)2/h3-10H2,1-2H3,(H,15,18).
What are the key properties of N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide?
N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide has a molecular weight of 249.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]pentanamide is sourced from PubChem (CID 113081601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).