1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine

C17H26N4 — CID 106643971

IUPAC1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine
SMILESCCCN(CC1CCCNC1)c1nc2ccccc2n1C
InChIInChI=1S/C17H26N4/c1-3-11-21(13-14-7-6-10-18-12-14)17-19-15-8-4-5-9-16(15)20(17)2/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3
InChIKeyAIHHGIUJTCMLGV-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.79
Rot. Bonds5

About 1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine

1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine (PubChem CID 106643971) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine
PubChem CID106643971
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine
SMILESCCCN(CC1CCCNC1)c1nc2ccccc2n1C
InChIInChI=1S/C17H26N4/c1-3-11-21(13-14-7-6-10-18-12-14)17-19-15-8-4-5-9-16(15)20(17)2/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3
InChIKeyAIHHGIUJTCMLGV-UHFFFAOYSA-N
XLogP2.79
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-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

N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine
CID 115144037
N-butyl-N-(piperidin-3-ylmethyl)aniline
CID 64585199
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552802
5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine
CID 106644080
2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine
CID 106644220
5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine
CID 106644246
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine
CID 82311900
2-methyl-6-nitro-N-(piperidin-3-ylmethyl)-N-propylaniline
CID 106644069
N-(piperidin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine
CID 106644228

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine?
The IUPAC name of 1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine (CID 106643971) is 1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine?
The canonical SMILES for 1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine is CCCN(CC1CCCNC1)c1nc2ccccc2n1C.
What is the InChIKey of 1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine?
The InChIKey is AIHHGIUJTCMLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-11-21(13-14-7-6-10-18-12-14)17-19-15-8-4-5-9-16(15)20(17)2/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine?
1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine has a molecular weight of 286.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine is sourced from PubChem (CID 106643971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).