(1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine

C19H19Cl2N3O — CID 99777207

IUPAC(1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine
SMILESCOc1ccc(Cl)cc1CN[C@@H](c1ccccc1Cl)c1nccn1C
InChIInChI=1S/C19H19Cl2N3O/c1-24-10-9-22-19(24)18(15-5-3-4-6-16(15)21)23-12-13-11-14(20)7-8-17(13)25-2/h3-11,18,23H,12H2,1-2H3/t18-/m0/s1
InChIKeyXCOSFTUTAVKCPV-SFHVURJKSA-N
MW376.29 g/mol
LogP4.61
Rot. Bonds6

About (1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine

(1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 99777207) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is (1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine
PubChem CID99777207
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name(1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine
SMILESCOc1ccc(Cl)cc1CN[C@@H](c1ccccc1Cl)c1nccn1C
InChIInChI=1S/C19H19Cl2N3O/c1-24-10-9-22-19(24)18(15-5-3-4-6-16(15)21)23-12-13-11-14(20)7-8-17(13)25-2/h3-11,18,23H,12H2,1-2H3/t18-/m0/s1
InChIKeyXCOSFTUTAVKCPV-SFHVURJKSA-N
XLogP4.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 92854374
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 78870553
N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 86854923
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
N-[(5-fluoro-2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82769072
N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82890952
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61212601
2-(5-acetyl-2-methoxyphenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 26654459
(1S)-1-(2-bromophenyl)-N-[(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 81383552
5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133467710
1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38203555
1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43080290

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of (1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine (CID 99777207) is (1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for (1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for (1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine is COc1ccc(Cl)cc1CN[C@@H](c1ccccc1Cl)c1nccn1C.
What is the InChIKey of (1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is XCOSFTUTAVKCPV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c1-24-10-9-22-19(24)18(15-5-3-4-6-16(15)21)23-12-13-11-14(20)7-8-17(13)25-2/h3-11,18,23H,12H2,1-2H3/t18-/m0/s1.
What are the key properties of (1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
(1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 376.29 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 99777207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).