2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid

C19H16ClN3O2 — CID 90407323

IUPAC2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ncn(CC3CC3)c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H16ClN3O2/c20-15-5-3-13(4-6-15)18-17(22-11-23(18)10-12-1-2-12)16-9-14(19(24)25)7-8-21-16/h3-9,11-12H,1-2,10H2,(H,24,25)
InChIKeyQZSXNGRUEXSCKN-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.37
Rot. Bonds5

About 2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid

2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407323) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407323
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ncn(CC3CC3)c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H16ClN3O2/c20-15-5-3-13(4-6-15)18-17(22-11-23(18)10-12-1-2-12)16-9-14(19(24)25)7-8-21-16/h3-9,11-12H,1-2,10H2,(H,24,25)
InChIKeyQZSXNGRUEXSCKN-UHFFFAOYSA-N
XLogP4.37
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407323) is 2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ncn(CC3CC3)c2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is QZSXNGRUEXSCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-15-5-3-13(4-6-15)18-17(22-11-23(18)10-12-1-2-12)16-9-14(19(24)25)7-8-21-16/h3-9,11-12H,1-2,10H2,(H,24,25).
What are the key properties of 2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 353.81 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).