3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid

C16H17Cl2N3O3 — CID 154975226

IUPAC3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid
SMILESCOCc1nc2c(n1Cc1cc(Cl)ccc1Cl)CN(C(=O)O)CC2
InChIInChI=1S/C16H17Cl2N3O3/c1-24-9-15-19-13-4-5-20(16(22)23)8-14(13)21(15)7-10-6-11(17)2-3-12(10)18/h2-3,6H,4-5,7-9H2,1H3,(H,22,23)
InChIKeyHPCQHLQAUVOKLM-UHFFFAOYSA-N
MW370.24 g/mol
LogP3.42
Rot. Bonds4

About 3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid

3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid (PubChem CID 154975226) has the molecular formula C16H17Cl2N3O3 and a molecular weight of 370.24 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid
PubChem CID154975226
Molecular FormulaC16H17Cl2N3O3
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Name3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid
SMILESCOCc1nc2c(n1Cc1cc(Cl)ccc1Cl)CN(C(=O)O)CC2
InChIInChI=1S/C16H17Cl2N3O3/c1-24-9-15-19-13-4-5-20(16(22)23)8-14(13)21(15)7-10-6-11(17)2-3-12(10)18/h2-3,6H,4-5,7-9H2,1H3,(H,22,23)
InChIKeyHPCQHLQAUVOKLM-UHFFFAOYSA-N
XLogP3.42
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid with MolForge

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Related Compounds

tert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane
CID 140784171
4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine
CID 140851998
1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626515
4-(2,4-dichlorophenoxy)-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
CID 141044428
1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one
CID 83885913
3-[(2,5-dichlorophenyl)methyl]-2-(6-methoxypyrazin-2-yl)-5-methylimidazole-4-carboxylic acid
CID 126685761
2-(2,5-dichlorophenyl)-1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86874247
1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 91871347
1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid
CID 175377648
3-benzhydryl-6-[(2,5-dichlorophenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 59314751
(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-methoxy-2-methylpyrrolidine-2-carboxylic acid
CID 118093525
1-[(2,5-dichlorophenyl)methyl]-5-propan-2-yltriazole-4-carboxylic acid
CID 65321554

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid (CID 154975226) is 3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid is COCc1nc2c(n1Cc1cc(Cl)ccc1Cl)CN(C(=O)O)CC2.
What is the InChIKey of 3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid?
The InChIKey is HPCQHLQAUVOKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3/c1-24-9-15-19-13-4-5-20(16(22)23)8-14(13)21(15)7-10-6-11(17)2-3-12(10)18/h2-3,6H,4-5,7-9H2,1H3,(H,22,23).
What are the key properties of 3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid?
3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid has a molecular weight of 370.24 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 154975226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).