1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine

C23H22ClN3 — CID 20956376

IUPAC1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine
SMILESCCc1ccc(-c2nc3ccccn3c2CNCc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H22ClN3/c1-2-17-9-11-19(12-10-17)23-21(27-13-4-3-8-22(27)26-23)16-25-15-18-6-5-7-20(24)14-18/h3-14,25H,2,15-16H2,1H3
InChIKeyWMHIICDIBPUSSI-UHFFFAOYSA-N
MW375.90 g/mol
LogP5.51
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine

1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine (PubChem CID 20956376) has the molecular formula C23H22ClN3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine
PubChem CID20956376
Molecular FormulaC23H22ClN3
Molecular Weight375.90 g/mol
Exact Mass375.15
IUPAC Name1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine
SMILESCCc1ccc(-c2nc3ccccn3c2CNCc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H22ClN3/c1-2-17-9-11-19(12-10-17)23-21(27-13-4-3-8-22(27)26-23)16-25-15-18-6-5-7-20(24)14-18/h3-14,25H,2,15-16H2,1H3
InChIKeyWMHIICDIBPUSSI-UHFFFAOYSA-N
XLogP5.51
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1-(3-methoxyphenyl)methanamine
CID 20956384
N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 20956386
N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 59402651
N-benzyl-2-[4-(3-chlorophenyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 42601069
2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356222
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 53036640
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 53118599
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
CID 42881568
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 167754279
4-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 156789846

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine (CID 20956376) is 1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine is CCc1ccc(-c2nc3ccccn3c2CNCc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine?
The InChIKey is WMHIICDIBPUSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3/c1-2-17-9-11-19(12-10-17)23-21(27-13-4-3-8-22(27)26-23)16-25-15-18-6-5-7-20(24)14-18/h3-14,25H,2,15-16H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine?
1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine has a molecular weight of 375.90 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine is sourced from PubChem (CID 20956376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).