2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine

C15H20BrN3 — CID 83213999

IUPAC2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
SMILESCn1c(C2(C)CCCCC2N)nc2cc(Br)ccc21
InChIInChI=1S/C15H20BrN3/c1-15(8-4-3-5-13(15)17)14-18-11-9-10(16)6-7-12(11)19(14)2/h6-7,9,13H,3-5,8,17H2,1-2H3
InChIKeyZHICDMFTBUMJRA-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.49
Rot. Bonds1

About 2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine

2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine (PubChem CID 83213999) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
PubChem CID83213999
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
SMILESCn1c(C2(C)CCCCC2N)nc2cc(Br)ccc21
InChIInChI=1S/C15H20BrN3/c1-15(8-4-3-5-13(15)17)14-18-11-9-10(16)6-7-12(11)19(14)2/h6-7,9,13H,3-5,8,17H2,1-2H3
InChIKeyZHICDMFTBUMJRA-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82762765
1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61290827
2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83209762
2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine
CID 83214303
5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 63144326
2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83214231
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82763149
[1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopentyl]methanamine
CID 115433468
1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61291013
2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 83216308
1-(5-bromo-1-ethylbenzimidazol-2-yl)cycloheptan-1-amine
CID 61290098
2-(1-ethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82762313

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
The IUPAC name of 2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine (CID 83213999) is 2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine is Cn1c(C2(C)CCCCC2N)nc2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
The InChIKey is ZHICDMFTBUMJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-15(8-4-3-5-13(15)17)14-18-11-9-10(16)6-7-12(11)19(14)2/h6-7,9,13H,3-5,8,17H2,1-2H3.
What are the key properties of 2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 83213999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).