4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid

C23H18ClN3O3 — CID 178019129

IUPAC4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccn3cc(Cc4ccccc4Cl)nc3c2)cc1
InChIInChI=1S/C23H18ClN3O3/c24-20-4-2-1-3-17(20)11-19-14-27-10-9-18(12-21(27)26-19)22(28)25-13-15-5-7-16(8-6-15)23(29)30/h1-10,12,14H,11,13H2,(H,25,28)(H,29,30)
InChIKeyLJMHEXANOCFINU-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.21
Rot. Bonds6

About 4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid

4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid (PubChem CID 178019129) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid
PubChem CID178019129
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccn3cc(Cc4ccccc4Cl)nc3c2)cc1
InChIInChI=1S/C23H18ClN3O3/c24-20-4-2-1-3-17(20)11-19-14-27-10-9-18(12-21(27)26-19)22(28)25-13-15-5-7-16(8-6-15)23(29)30/h1-10,12,14H,11,13H2,(H,25,28)(H,29,30)
InChIKeyLJMHEXANOCFINU-UHFFFAOYSA-N
XLogP4.21
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

N-[(4-carbamoylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801462
4-[[[2-[(2-chlorophenyl)methyl]cyclohexene-1-carbonyl]amino]methyl]benzoic acid
CID 118562065
N-[(2-chlorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542001
4-(benzamidomethyl)benzoic acid
CID 10879683
2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117130528
N-[(2-methylimidazo[1,2-a]pyridin-7-yl)methyl]benzamide
CID 129141052
4-[[[4-[[[4-chloro-1-[(2-chlorophenyl)methyl]-2,5-dioxopyrrol-3-yl]amino]methyl]benzoyl]amino]methyl]benzoic acid
CID 1408319
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054654
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917100
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9185148
1-[(2-chlorophenyl)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34450094

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid (CID 178019129) is 4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2ccn3cc(Cc4ccccc4Cl)nc3c2)cc1.
What is the InChIKey of 4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid?
The InChIKey is LJMHEXANOCFINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c24-20-4-2-1-3-17(20)11-19-14-27-10-9-18(12-21(27)26-19)22(28)25-13-15-5-7-16(8-6-15)23(29)30/h1-10,12,14H,11,13H2,(H,25,28)(H,29,30).
What are the key properties of 4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid?
4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid has a molecular weight of 419.87 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 178019129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).