1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine

C17H24BrN3 — CID 63494549

IUPAC1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCCCn1c(C2(N)CCC(C)CC2)nc2cc(Br)ccc21
InChIInChI=1S/C17H24BrN3/c1-3-10-21-15-5-4-13(18)11-14(15)20-16(21)17(19)8-6-12(2)7-9-17/h4-5,11-12H,3,6-10,19H2,1-2H3
InChIKeySGMNFJMFXSEUIP-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.57
Rot. Bonds3

About 1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine

1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine (PubChem CID 63494549) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine
PubChem CID63494549
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCCCn1c(C2(N)CCC(C)CC2)nc2cc(Br)ccc21
InChIInChI=1S/C17H24BrN3/c1-3-10-21-15-5-4-13(18)11-14(15)20-16(21)17(19)8-6-12(2)7-9-17/h4-5,11-12H,3,6-10,19H2,1-2H3
InChIKeySGMNFJMFXSEUIP-UHFFFAOYSA-N
XLogP4.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61291013
1-(5-bromo-1-ethylbenzimidazol-2-yl)cycloheptan-1-amine
CID 61290098
ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79480039
5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole
CID 106977747
1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61290827
1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine
CID 61290864
3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine
CID 64889974
1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine
CID 113316624
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline
CID 60835546
1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine
CID 62378122
4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61290676
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline
CID 60785537

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine (CID 63494549) is 1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine is CCCn1c(C2(N)CCC(C)CC2)nc2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The InChIKey is SGMNFJMFXSEUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-3-10-21-15-5-4-13(18)11-14(15)20-16(21)17(19)8-6-12(2)7-9-17/h4-5,11-12H,3,6-10,19H2,1-2H3.
What are the key properties of 1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine?
1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 63494549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).