5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine

C15H20BrN3 — CID 63545324

IUPAC5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine
SMILESCCC1CCCCC1n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C15H20BrN3/c1-2-10-5-3-4-6-13(10)19-14-8-7-11(16)9-12(14)18-15(19)17/h7-10,13H,2-6H2,1H3,(H2,17,18)
InChIKeyPDNTYRMRHCFGFT-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.52
Rot. Bonds2

About 5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine

5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine (PubChem CID 63545324) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine
PubChem CID63545324
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine
SMILESCCC1CCCCC1n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C15H20BrN3/c1-2-10-5-3-4-6-13(10)19-14-8-7-11(16)9-12(14)18-15(19)17/h7-10,13H,2-6H2,1H3,(H2,17,18)
InChIKeyPDNTYRMRHCFGFT-UHFFFAOYSA-N
XLogP4.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohexyl-1-methylbenzimidazole
CID 2991075
4-Bromo-2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole
CID 492665
4-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 756794
1-[(4-Bromophenyl)methyl]-2-methylbenzimidazole
CID 743662
1-(4-Methyl-benzyl)-1H-benzoimidazol-2-ylamine
CID 867570
2-Amino-1-benzylbenzimidazole
CID 170742
N-(4-bromobenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 3308335
4-bromo-N-[(1-propylbenzimidazol-2-yl)methyl]aniline
CID 5308191
1-[5-bromo-1-(3-methyl-butyl)-1H-benzoimidazol-2-ylmethyl]-3-isopropyl-1,3-dihydro-benzoimidazol-2-one
CID 20813998
US11141403, Example 8
CID 129251069
US11141403, Example 5
CID 129276727
2-Methyl-1-(2-phenylethyl)benzimidazole
CID 763570

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine (CID 63545324) is 5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine is CCC1CCCCC1n1c(N)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine?
The InChIKey is PDNTYRMRHCFGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-2-10-5-3-4-6-13(10)19-14-8-7-11(16)9-12(14)18-15(19)17/h7-10,13H,2-6H2,1H3,(H2,17,18).
What are the key properties of 5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine?
5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine has a molecular weight of 322.25 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine is sourced from PubChem (CID 63545324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).