1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride

C14H17Cl2N3O2 — CID 14403762

IUPAC1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1
InChIInChI=1S/C14H15N3O2.2ClH/c18-14(19)11-6-13-12(7-15-11)16-9-17(13)8-10-4-2-1-3-5-10;;/h1-5,9,11,15H,6-8H2,(H,18,19);2*1H
InChIKeyGFCYXTUMECBESU-UHFFFAOYSA-N
MW330.22 g/mol
LogP1.87
Rot. Bonds3

About 1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride

1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride (PubChem CID 14403762) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
PubChem CID14403762
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1
InChIInChI=1S/C14H15N3O2.2ClH/c18-14(19)11-6-13-12(7-15-11)16-9-17(13)8-10-4-2-1-3-5-10;;/h1-5,9,11,15H,6-8H2,(H,18,19);2*1H
InChIKeyGFCYXTUMECBESU-UHFFFAOYSA-N
XLogP1.87
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (6S)-1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 170602194
1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 21249250
1-benzyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 14403630
1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403770
methyl 1-[(3-methyl-4-nitrophenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 14457530
(6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride
CID 162341617
(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
methyl (6S)-5-acetyl-3-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 14457639
6-benzyl-11-propan-2-yl-1,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4-diene-10,12-dione
CID 14403678
methyl 3-benzyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443171
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
The IUPAC name of 1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride (CID 14403762) is 1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride.
What is the SMILES notation for 1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
The canonical SMILES for 1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1.
What is the InChIKey of 1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
The InChIKey is GFCYXTUMECBESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2.2ClH/c18-14(19)11-6-13-12(7-15-11)16-9-17(13)8-10-4-2-1-3-5-10;;/h1-5,9,11,15H,6-8H2,(H,18,19);2*1H.
What are the key properties of 1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride has a molecular weight of 330.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride is sourced from PubChem (CID 14403762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).