1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride

C22H25Cl2N3O2 — CID 14403630

IUPAC1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1CCc1ccccc1
InChIInChI=1S/C22H23N3O2.2ClH/c26-22(27)21-13-20-19(15-24(21)12-11-17-7-3-1-4-8-17)23-16-25(20)14-18-9-5-2-6-10-18;;/h1-10,16,21H,11-15H2,(H,26,27);2*1H
InChIKeyFKMWQKFPVZODQN-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.83
Rot. Bonds6

About 1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride

1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride (PubChem CID 14403630) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
PubChem CID14403630
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1CCc1ccccc1
InChIInChI=1S/C22H23N3O2.2ClH/c26-22(27)21-13-20-19(15-24(21)12-11-17-7-3-1-4-8-17)23-16-25(20)14-18-9-5-2-6-10-18;;/h1-10,16,21H,11-15H2,(H,26,27);2*1H
InChIKeyFKMWQKFPVZODQN-UHFFFAOYSA-N
XLogP3.83
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride with MolForge

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Related Compounds

1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403770
(6S)-1-benzyl-5-[2,2-bis(4-chlorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403500
1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 70391138
1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 14403762
5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403650
(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
CID 20637841
methyl (6S)-5-acetyl-3-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 14457639
[4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
CID 110027649
methyl 3-benzyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443171
methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443179
benzyl (6S)-1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 170602194
1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 4701

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
The IUPAC name of 1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride (CID 14403630) is 1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride.
What is the SMILES notation for 1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
The canonical SMILES for 1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1CCc1ccccc1.
What is the InChIKey of 1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
The InChIKey is FKMWQKFPVZODQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.2ClH/c26-22(27)21-13-20-19(15-24(21)12-11-17-7-3-1-4-8-17)23-16-25(20)14-18-9-5-2-6-10-18;;/h1-10,16,21H,11-15H2,(H,26,27);2*1H.
What are the key properties of 1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride has a molecular weight of 434.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride is sourced from PubChem (CID 14403630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).