2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine

C16H23N3 — CID 83214231

IUPAC2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
SMILESCCn1c(C2(C)CCCCC2N)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-3-19-13-9-5-4-8-12(13)18-15(19)16(2)11-7-6-10-14(16)17/h4-5,8-9,14H,3,6-7,10-11,17H2,1-2H3
InChIKeyZAOFBLHBUPTKKO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.22
Rot. Bonds2

About 2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine

2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine (PubChem CID 83214231) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
PubChem CID83214231
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
SMILESCCn1c(C2(C)CCCCC2N)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-3-19-13-9-5-4-8-12(13)18-15(19)16(2)11-7-6-10-14(16)17/h4-5,8-9,14H,3,6-7,10-11,17H2,1-2H3
InChIKeyZAOFBLHBUPTKKO-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82762313
2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine
CID 83214303
2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83209762
2-(1-ethylimidazo[4,5-c]pyridin-2-yl)-2-methylcyclopentan-1-amine
CID 82763371
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82763149
4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine
CID 66248150
2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83210870
1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole
CID 63133804
ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate
CID 79472376
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61366163
[1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436209
2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82762765

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine (CID 83214231) is 2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine is CCn1c(C2(C)CCCCC2N)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
The InChIKey is ZAOFBLHBUPTKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-19-13-9-5-4-8-12(13)18-15(19)16(2)11-7-6-10-14(16)17/h4-5,8-9,14H,3,6-7,10-11,17H2,1-2H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 83214231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).