N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine

C14H16N4 — CID 115144025

IUPACN,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine
SMILESCN(Cc1cc[nH]c1)c1nc2ccccc2n1C
InChIInChI=1S/C14H16N4/c1-17(10-11-7-8-15-9-11)14-16-12-5-3-4-6-13(12)18(14)2/h3-9,15H,10H2,1-2H3
InChIKeyFLSDHLDOKYTMSL-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.54
Rot. Bonds3

About N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine

N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine (PubChem CID 115144025) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine
PubChem CID115144025
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine
SMILESCN(Cc1cc[nH]c1)c1nc2ccccc2n1C
InChIInChI=1S/C14H16N4/c1-17(10-11-7-8-15-9-11)14-16-12-5-3-4-6-13(12)18(14)2/h3-9,15H,10H2,1-2H3
InChIKeyFLSDHLDOKYTMSL-UHFFFAOYSA-N
XLogP2.54
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-N-(2-phenylethyl)benzimidazol-2-amine
CID 115144055
N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine
CID 171329079
N-butyl-N,1-dimethylbenzimidazol-2-amine
CID 71723450
5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 107203489
N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine
CID 115144026
N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine
CID 115144037
1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine
CID 115144186
N-(2-bromoethyl)-1-methyl-N-pentan-3-ylbenzimidazol-2-amine
CID 80680419
2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66410022
N,3-dimethyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 171327324
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,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine?
The IUPAC name of N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine (CID 115144025) is N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine is CN(Cc1cc[nH]c1)c1nc2ccccc2n1C.
What is the InChIKey of N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine?
The InChIKey is FLSDHLDOKYTMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-17(10-11-7-8-15-9-11)14-16-12-5-3-4-6-13(12)18(14)2/h3-9,15H,10H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine?
N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine has a molecular weight of 240.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 115144025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).