N-butyl-N,1-dimethylbenzimidazol-2-amine

C13H19N3 — CID 71723450

IUPACN-butyl-N,1-dimethylbenzimidazol-2-amine
SMILESCCCCN(C)c1nc2ccccc2n1C
InChIInChI=1S/C13H19N3/c1-4-5-10-15(2)13-14-11-8-6-7-9-12(11)16(13)3/h6-9H,4-5,10H2,1-3H3
InChIKeyMQDHWQWAQCVOTC-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.81
Rot. Bonds4

About N-butyl-N,1-dimethylbenzimidazol-2-amine

N-butyl-N,1-dimethylbenzimidazol-2-amine (PubChem CID 71723450) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-butyl-N,1-dimethylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-N,1-dimethylbenzimidazol-2-amine
PubChem CID71723450
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-butyl-N,1-dimethylbenzimidazol-2-amine
SMILESCCCCN(C)c1nc2ccccc2n1C
InChIInChI=1S/C13H19N3/c1-4-5-10-15(2)13-14-11-8-6-7-9-12(11)16(13)3/h6-9H,4-5,10H2,1-3H3
InChIKeyMQDHWQWAQCVOTC-UHFFFAOYSA-N
XLogP2.81
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-N,1-dimethylbenzimidazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 107203489
N,1-dimethyl-N-(2-phenylethyl)benzimidazol-2-amine
CID 115144055
N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine
CID 115144025
N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine
CID 115144026
N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine
CID 115144037
N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine
CID 171329079
N-(2-bromoethyl)-1-methyl-N-pentan-3-ylbenzimidazol-2-amine
CID 80680419
N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine
CID 102871457
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine
CID 155173890
2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol
CID 113341922

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,1-dimethylbenzimidazol-2-amine?
The IUPAC name of N-butyl-N,1-dimethylbenzimidazol-2-amine (CID 71723450) is N-butyl-N,1-dimethylbenzimidazol-2-amine.
What is the SMILES notation for N-butyl-N,1-dimethylbenzimidazol-2-amine?
The canonical SMILES for N-butyl-N,1-dimethylbenzimidazol-2-amine is CCCCN(C)c1nc2ccccc2n1C.
What is the InChIKey of N-butyl-N,1-dimethylbenzimidazol-2-amine?
The InChIKey is MQDHWQWAQCVOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-5-10-15(2)13-14-11-8-6-7-9-12(11)16(13)3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N-butyl-N,1-dimethylbenzimidazol-2-amine?
N-butyl-N,1-dimethylbenzimidazol-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,1-dimethylbenzimidazol-2-amine is sourced from PubChem (CID 71723450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).