2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid

C20H17ClN4O3 — CID 51971957

About 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid

2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid (PubChem CID 51971957) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid.

Molecular Properties

• Compound Name: 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
• PubChem CID: 51971957
• Molecular Formula: C20H17ClN4O3
• Molecular Weight: 396.83 g/mol
• Exact Mass: 396.10
• IUPAC Name: 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
• SMILES: O=C(O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1
• InChI: InChI=1S/C20H17ClN4O3/c21-13-7-5-12(6-8-13)18-17-16(22-11-23-17)9-10-25(18)20(28)24-15-4-2-1-3-14(15)19(26)27/h1-8,11,18H,9-10H2,(H,22,23)(H,24,28)(H,26,27)/t18-/m1/s1
• InChIKey: CRMZJYVBTGIJBN-GOSISDBHSA-N
• XLogP: 3.94
• TPSA: 98.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.83
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid?

The IUPAC name of 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid (CID 51971957) is 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid.

What is the SMILES notation for 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid?

The canonical SMILES for 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid is O=C(O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1.

What is the InChIKey of 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid?

The InChIKey is CRMZJYVBTGIJBN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c21-13-7-5-12(6-8-13)18-17-16(22-11-23-17)9-10-25(18)20(28)24-15-4-2-1-3-14(15)19(26)27/h1-8,11,18H,9-10H2,(H,22,23)(H,24,28)(H,26,27)/t18-/m1/s1.

What are the key properties of 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid?

2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid has a molecular weight of 396.83 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid is sourced from PubChem (CID 51971957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).