(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine

C12H17N3O — CID 82334703

IUPAC(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
SMILESCCOc1ccc2c(c1)nc(CN)n2CC
InChIInChI=1S/C12H17N3O/c1-3-15-11-6-5-9(16-4-2)7-10(11)14-12(15)8-13/h5-7H,3-4,8,13H2,1-2H3
InChIKeyNXXFRFGATPYGOC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.91
Rot. Bonds4

About (5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine

(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine (PubChem CID 82334703) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
PubChem CID82334703
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
SMILESCCOc1ccc2c(c1)nc(CN)n2CC
InChIInChI=1S/C12H17N3O/c1-3-15-11-6-5-9(16-4-2)7-10(11)14-12(15)8-13/h5-7H,3-4,8,13H2,1-2H3
InChIKeyNXXFRFGATPYGOC-UHFFFAOYSA-N
XLogP1.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine 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

(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334711
[5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82334694
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
2-(chloromethyl)-5-ethoxy-1-propylbenzimidazole
CID 82334898
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679
5-ethoxy-1-ethylbenzimidazole-2-sulfonic acid
CID 25239345
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine
CID 82334328
(1-benzyl-5-ethoxybenzimidazol-2-yl)methanethiol
CID 82334952
4-[5-ethoxy-2-(sulfanylmethyl)benzimidazol-1-yl]butan-2-one
CID 82334968
(1-ethyl-6-methylbenzimidazol-2-yl)methanamine
CID 123207150

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine?
The IUPAC name of (5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine (CID 82334703) is (5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine.
What is the SMILES notation for (5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine?
The canonical SMILES for (5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine is CCOc1ccc2c(c1)nc(CN)n2CC.
What is the InChIKey of (5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine?
The InChIKey is NXXFRFGATPYGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-15-11-6-5-9(16-4-2)7-10(11)14-12(15)8-13/h5-7H,3-4,8,13H2,1-2H3.
What are the key properties of (5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine?
(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine has a molecular weight of 219.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine is sourced from PubChem (CID 82334703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).