2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine

C15H16N4 — CID 55079755

IUPAC2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1Cc1cccnc1
InChIInChI=1S/C15H16N4/c1-2-15-18-13-8-12(16)5-6-14(13)19(15)10-11-4-3-7-17-9-11/h3-9H,2,10,16H2,1H3
InChIKeyOUGPLYGPVOLAPT-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.62
Rot. Bonds3

About 2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine

2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine (PubChem CID 55079755) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
PubChem CID55079755
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1Cc1cccnc1
InChIInChI=1S/C15H16N4/c1-2-15-18-13-8-12(16)5-6-14(13)19(15)10-11-4-3-7-17-9-11/h3-9H,2,10,16H2,1H3
InChIKeyOUGPLYGPVOLAPT-UHFFFAOYSA-N
XLogP2.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3-chlorophenyl)methyl]-2-ethylbenzimidazol-5-amine
CID 62533807
2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 62506035
2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole
CID 43660329
2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine
CID 55175058
2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine
CID 55079804
5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole
CID 43666644
2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine
CID 106408016
2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine
CID 62992193
6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole
CID 116738645
2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
CID 63498106
2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol
CID 106254051
1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 59172151

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine (CID 55079755) is 2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1Cc1cccnc1.
What is the InChIKey of 2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine?
The InChIKey is OUGPLYGPVOLAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-15-18-13-8-12(16)5-6-14(13)19(15)10-11-4-3-7-17-9-11/h3-9H,2,10,16H2,1H3.
What are the key properties of 2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine?
2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine has a molecular weight of 252.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 55079755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).