1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine

C16H15BrClN3 — CID 115566654

IUPAC1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCn1c(CC(N)c2ccc(Cl)c(Br)c2)nc2ccccc21
InChIInChI=1S/C16H15BrClN3/c1-21-15-5-3-2-4-14(15)20-16(21)9-13(19)10-6-7-12(18)11(17)8-10/h2-8,13H,9,19H2,1H3
InChIKeyVAPSFIMIFJXIIQ-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.23
Rot. Bonds3

About 1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine

1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine (PubChem CID 115566654) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID115566654
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCn1c(CC(N)c2ccc(Cl)c(Br)c2)nc2ccccc21
InChIInChI=1S/C16H15BrClN3/c1-21-15-5-3-2-4-14(15)20-16(21)9-13(19)10-6-7-12(18)11(17)8-10/h2-8,13H,9,19H2,1H3
InChIKeyVAPSFIMIFJXIIQ-UHFFFAOYSA-N
XLogP4.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007600
1-(5-bromo-2-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007538
1-(4-bromophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753790
1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753862
2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105164893
2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105164906
1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818511
1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818504
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296
2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine
CID 60783423
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine (CID 115566654) is 1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine is Cn1c(CC(N)c2ccc(Cl)c(Br)c2)nc2ccccc21.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The InChIKey is VAPSFIMIFJXIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-21-15-5-3-2-4-14(15)20-16(21)9-13(19)10-6-7-12(18)11(17)8-10/h2-8,13H,9,19H2,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine has a molecular weight of 364.67 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 115566654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).