1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine

C19H21ClN4 — CID 46954029

IUPAC1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1ncc(CN(Cc2ccccn2)Cc2ccccc2Cl)n1C
InChIInChI=1S/C19H21ClN4/c1-15-22-11-18(23(15)2)14-24(13-17-8-5-6-10-21-17)12-16-7-3-4-9-19(16)20/h3-11H,12-14H2,1-2H3
InChIKeyVSZGCZYIOPDJQT-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.98
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine

1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 46954029) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID46954029
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1ncc(CN(Cc2ccccn2)Cc2ccccc2Cl)n1C
InChIInChI=1S/C19H21ClN4/c1-15-22-11-18(23(15)2)14-24(13-17-8-5-6-10-21-17)12-16-7-3-4-9-19(16)20/h3-11H,12-14H2,1-2H3
InChIKeyVSZGCZYIOPDJQT-UHFFFAOYSA-N
XLogP3.98
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine (CID 46954029) is 1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine is Cc1ncc(CN(Cc2ccccn2)Cc2ccccc2Cl)n1C.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is VSZGCZYIOPDJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c1-15-22-11-18(23(15)2)14-24(13-17-8-5-6-10-21-17)12-16-7-3-4-9-19(16)20/h3-11H,12-14H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 340.86 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 46954029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).