4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

C16H19N3O2 — CID 54775701

IUPAC4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)c1ccc(C2NC(C(=O)O)Cc3[nH]cnc32)cc1
InChIInChI=1S/C16H19N3O2/c1-9(2)10-3-5-11(6-4-10)14-15-12(17-8-18-15)7-13(19-14)16(20)21/h3-6,8-9,13-14,19H,7H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyKEEKENASJOFDMR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.22
Rot. Bonds3

About 4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 54775701) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID54775701
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)c1ccc(C2NC(C(=O)O)Cc3[nH]cnc32)cc1
InChIInChI=1S/C16H19N3O2/c1-9(2)10-3-5-11(6-4-10)14-15-12(17-8-18-15)7-13(19-14)16(20)21/h3-6,8-9,13-14,19H,7H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyKEEKENASJOFDMR-UHFFFAOYSA-N
XLogP2.22
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 54775701) is 4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is CC(C)c1ccc(C2NC(C(=O)O)Cc3[nH]cnc32)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is KEEKENASJOFDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9(2)10-3-5-11(6-4-10)14-15-12(17-8-18-15)7-13(19-14)16(20)21/h3-6,8-9,13-14,19H,7H2,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 54775701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).