[1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine

C17H25N3 — CID 106829194

IUPAC[1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine
SMILESCCn1c(C2(C)CCCCC2)nc2cc(CN)ccc21
InChIInChI=1S/C17H25N3/c1-3-20-15-8-7-13(12-18)11-14(15)19-16(20)17(2)9-5-4-6-10-17/h7-8,11H,3-6,9-10,12,18H2,1-2H3
InChIKeyMNGQPMFFDVSUKM-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.74
Rot. Bonds3

About [1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine

[1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine (PubChem CID 106829194) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is [1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine
PubChem CID106829194
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name[1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine
SMILESCCn1c(C2(C)CCCCC2)nc2cc(CN)ccc21
InChIInChI=1S/C17H25N3/c1-3-20-15-8-7-13(12-18)11-14(15)19-16(20)17(2)9-5-4-6-10-17/h7-8,11H,3-6,9-10,12,18H2,1-2H3
InChIKeyMNGQPMFFDVSUKM-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine
CID 65038202
1-(5-bromo-1-ethylbenzimidazol-2-yl)cycloheptan-1-amine
CID 61290098
1-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclopentan-1-amine
CID 61291958
N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine
CID 70865779
5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid
CID 84786621
[2-(2-cyclopentylethyl)-1-ethylbenzimidazol-5-yl]methanamine
CID 65038299
1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole
CID 63133804
[1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65159867
[1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 113312218
[2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine
CID 106690304
[2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine
CID 66127163
2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83209762

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine (CID 106829194) is [1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine is CCn1c(C2(C)CCCCC2)nc2cc(CN)ccc21.
What is the InChIKey of [1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine?
The InChIKey is MNGQPMFFDVSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-20-15-8-7-13(12-18)11-14(15)19-16(20)17(2)9-5-4-6-10-17/h7-8,11H,3-6,9-10,12,18H2,1-2H3.
What are the key properties of [1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine?
[1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 106829194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).