[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate

C22H16ClN3O2 — CID 1488122

IUPAC[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate
SMILESCc1ccc(C(=O)ON=Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1
InChIInChI=1S/C22H16ClN3O2/c1-15-7-9-17(10-8-15)22(27)28-24-13-19-21(16-5-3-2-4-6-16)25-20-12-11-18(23)14-26(19)20/h2-14H,1H3
InChIKeyBMRAHZAPNVGROY-UHFFFAOYSA-N
MW389.84 g/mol
LogP5.15
Rot. Bonds4

About [(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate

[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate (PubChem CID 1488122) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is [(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate.

Molecular Properties

Compound Name[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate
PubChem CID1488122
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate
SMILESCc1ccc(C(=O)ON=Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1
InChIInChI=1S/C22H16ClN3O2/c1-15-7-9-17(10-8-15)22(27)28-24-13-19-21(16-5-3-2-4-6-16)25-20-12-11-18(23)14-26(19)20/h2-14H,1H3
InChIKeyBMRAHZAPNVGROY-UHFFFAOYSA-N
XLogP5.15
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056527
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate
CID 1473296
[(E)-(4-methylphenyl)methylideneamino] 4-chlorobenzoate
CID 6894030
(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023742
6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
CID 46904877
ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate
CID 34314660
6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618450
ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
CID 10479731
[6-chloro-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 39132848
(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023768
6-chloro-N-(2-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 6952225
(E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39196008

Frequently Asked Questions

What is the IUPAC name of [(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate?
The IUPAC name of [(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate (CID 1488122) is [(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate.
What is the SMILES notation for [(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate?
The canonical SMILES for [(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate is Cc1ccc(C(=O)ON=Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1.
What is the InChIKey of [(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate?
The InChIKey is BMRAHZAPNVGROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-15-7-9-17(10-8-15)22(27)28-24-13-19-21(16-5-3-2-4-6-16)25-20-12-11-18(23)14-26(19)20/h2-14H,1H3.
What are the key properties of [(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate?
[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate has a molecular weight of 389.84 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate is sourced from PubChem (CID 1488122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).