2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine

C12H17N3 — CID 82491787

IUPAC2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine
SMILESCCn1cnc2cc(CCNC)ccc21
InChIInChI=1S/C12H17N3/c1-3-15-9-14-11-8-10(6-7-13-2)4-5-12(11)15/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyLPOCLFUXTLFWII-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.82
Rot. Bonds4

About 2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine

2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine (PubChem CID 82491787) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine
PubChem CID82491787
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine
SMILESCCn1cnc2cc(CCNC)ccc21
InChIInChI=1S/C12H17N3/c1-3-15-9-14-11-8-10(6-7-13-2)4-5-12(11)15/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyLPOCLFUXTLFWII-UHFFFAOYSA-N
XLogP1.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine 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-(1-ethylbenzimidazol-5-yl)-N-methylmethanamine
CID 82490893
5-(1-ethylbenzimidazol-5-yl)pentan-1-amine
CID 98783919
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
1-ethyl-5-isocyanobenzimidazole
CID 140845990
N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine
CID 115206036
1-ethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 866291
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
CID 115229361
N-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide
CID 50844685
2-[2-(1-methylbenzimidazol-5-yl)ethylamino]ethanethiol
CID 115224269
(1-ethylbenzimidazol-5-yl)methyl N-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89469592
N-methyl-2-(1-propylindol-5-yl)ethanamine
CID 115106808
N-(1-ethylbenzimidazol-5-yl)butanamide
CID 2973046

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine (CID 82491787) is 2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine is CCn1cnc2cc(CCNC)ccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine?
The InChIKey is LPOCLFUXTLFWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-15-9-14-11-8-10(6-7-13-2)4-5-12(11)15/h4-5,8-9,13H,3,6-7H2,1-2H3.
What are the key properties of 2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine?
2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine has a molecular weight of 203.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 82491787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).