1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine

C15H19N5 — CID 115144186

IUPAC1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine
SMILESCN(Cc1ccc[nH]1)c1nc2ccccc2n1CCN
InChIInChI=1S/C15H19N5/c1-19(11-12-5-4-9-17-12)15-18-13-6-2-3-7-14(13)20(15)10-8-16/h2-7,9,17H,8,10-11,16H2,1H3
InChIKeyZWZOTPWIKVFDBK-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.96
Rot. Bonds5

About 1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine

1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine (PubChem CID 115144186) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine
PubChem CID115144186
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine
SMILESCN(Cc1ccc[nH]1)c1nc2ccccc2n1CCN
InChIInChI=1S/C15H19N5/c1-19(11-12-5-4-9-17-12)15-18-13-6-2-3-7-14(13)20(15)10-8-16/h2-7,9,17H,8,10-11,16H2,1H3
InChIKeyZWZOTPWIKVFDBK-UHFFFAOYSA-N
XLogP1.96
TPSA62.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine
CID 115144025
2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole
CID 136671113
1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine
CID 115144217
1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine
CID 82310709
1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine
CID 115144201
1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine
CID 72702181
2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol
CID 115144108
2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine
CID 83417374
N-butyl-N,1-dimethylbenzimidazol-2-amine
CID 71723450
N,1-dimethyl-N-(2-phenylethyl)benzimidazol-2-amine
CID 115144055
N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide
CID 110469019

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine (CID 115144186) is 1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine is CN(Cc1ccc[nH]1)c1nc2ccccc2n1CCN.
What is the InChIKey of 1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine?
The InChIKey is ZWZOTPWIKVFDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-19(11-12-5-4-9-17-12)15-18-13-6-2-3-7-14(13)20(15)10-8-16/h2-7,9,17H,8,10-11,16H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine?
1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine has a molecular weight of 269.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 115144186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).