1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine

C16H23N3 — CID 115552337

IUPAC1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine
SMILESCCC1CCCCC1n1c(N)nc2cccc(C)c21
InChIInChI=1S/C16H23N3/c1-3-12-8-4-5-10-14(12)19-15-11(2)7-6-9-13(15)18-16(19)17/h6-7,9,12,14H,3-5,8,10H2,1-2H3,(H2,17,18)
InChIKeyPOKYOPHYBRPLNR-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.07
Rot. Bonds2

About 1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine

1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine (PubChem CID 115552337) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine
PubChem CID115552337
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine
SMILESCCC1CCCCC1n1c(N)nc2cccc(C)c21
InChIInChI=1S/C16H23N3/c1-3-12-8-4-5-10-14(12)19-15-11(2)7-6-9-13(15)18-16(19)17/h6-7,9,12,14H,3-5,8,10H2,1-2H3,(H2,17,18)
InChIKeyPOKYOPHYBRPLNR-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine
CID 79289909
1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine
CID 115552524
1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine
CID 115552593
7-methyl-1-(oxan-4-yl)benzimidazol-2-amine
CID 113333969
5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine
CID 63545324
6-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine
CID 65347461
1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine
CID 115552412
1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
CID 106008021
1-(1,1-dioxothiolan-3-yl)-7-methylbenzimidazol-2-amine
CID 115552160
6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine
CID 116738177
1-N,1-N,7-trimethylbenzimidazole-1,2-diamine
CID 83017594
2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine
CID 83858278

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine (CID 115552337) is 1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine is CCC1CCCCC1n1c(N)nc2cccc(C)c21.
What is the InChIKey of 1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine?
The InChIKey is POKYOPHYBRPLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-12-8-4-5-10-14(12)19-15-11(2)7-6-9-13(15)18-16(19)17/h6-7,9,12,14H,3-5,8,10H2,1-2H3,(H2,17,18).
What are the key properties of 1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine?
1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).