N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine

C15H22N4 — CID 19819739

IUPACN-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine
SMILESCCCN(c1nc2ccccc2[nH]1)C1CCN(C)C1
InChIInChI=1S/C15H22N4/c1-3-9-19(12-8-10-18(2)11-12)15-16-13-6-4-5-7-14(13)17-15/h4-7,12H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyDWBZMYPVLDPVKH-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.48
Rot. Bonds4

About N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine

N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine (PubChem CID 19819739) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine
PubChem CID19819739
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine
SMILESCCCN(c1nc2ccccc2[nH]1)C1CCN(C)C1
InChIInChI=1S/C15H22N4/c1-3-9-19(12-8-10-18(2)11-12)15-16-13-6-4-5-7-14(13)17-15/h4-7,12H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyDWBZMYPVLDPVKH-UHFFFAOYSA-N
XLogP2.48
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-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-cyclobutyl-N-methyl-1H-benzimidazol-2-amine
CID 115143834
N-(2-cyclopentylethyl)-N-methyl-1H-benzimidazol-2-amine
CID 115143924
N-butyl-N-methyl-1H-benzimidazol-2-amine
CID 71723451
ethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate
CID 14989873
N'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine
CID 62588022
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine
CID 106600093
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 22989602
N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71642448
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
2-[(3R,4S)-3-(1H-benzimidazol-2-ylmethyl)-1-methylpiperidin-4-yl]acetic acid;hydrochloride
CID 172884192

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine (CID 19819739) is N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine is CCCN(c1nc2ccccc2[nH]1)C1CCN(C)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine?
The InChIKey is DWBZMYPVLDPVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-9-19(12-8-10-18(2)11-12)15-16-13-6-4-5-7-14(13)17-15/h4-7,12H,3,8-11H2,1-2H3,(H,16,17).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine?
N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine has a molecular weight of 258.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 19819739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).