1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine

C17H18ClN3 — CID 105007600

IUPAC1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCc1cc(C(N)Cc2nc3ccccc3n2C)ccc1Cl
InChIInChI=1S/C17H18ClN3/c1-11-9-12(7-8-13(11)18)14(19)10-17-20-15-5-3-4-6-16(15)21(17)2/h3-9,14H,10,19H2,1-2H3
InChIKeyLXGRPUVNFSBUMR-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.78
Rot. Bonds3

About 1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine

1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine (PubChem CID 105007600) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID105007600
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCc1cc(C(N)Cc2nc3ccccc3n2C)ccc1Cl
InChIInChI=1S/C17H18ClN3/c1-11-9-12(7-8-13(11)18)14(19)10-17-20-15-5-3-4-6-16(15)21(17)2/h3-9,14H,10,19H2,1-2H3
InChIKeyLXGRPUVNFSBUMR-UHFFFAOYSA-N
XLogP3.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115566654
1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818504
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
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296
1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997370
2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine
CID 60783423
1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818511
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine (CID 105007600) is 1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine is Cc1cc(C(N)Cc2nc3ccccc3n2C)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The InChIKey is LXGRPUVNFSBUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-11-9-12(7-8-13(11)18)14(19)10-17-20-15-5-3-4-6-16(15)21(17)2/h3-9,14H,10,19H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine has a molecular weight of 299.81 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 105007600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).