5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide

C18H16ClN3OS — CID 58284901

IUPAC5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C18H16ClN3OS/c1-11-20-15(12-2-4-13(19)5-3-12)10-22(11)17-9-8-16(24-17)18(23)21-14-6-7-14/h2-5,8-10,14H,6-7H2,1H3,(H,21,23)
InChIKeyHVPYHSLAUKYSHL-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.45
Rot. Bonds4

About 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide

5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide (PubChem CID 58284901) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide
PubChem CID58284901
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C18H16ClN3OS/c1-11-20-15(12-2-4-13(19)5-3-12)10-22(11)17-9-8-16(24-17)18(23)21-14-6-7-14/h2-5,8-10,14H,6-7H2,1H3,(H,21,23)
InChIKeyHVPYHSLAUKYSHL-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide (CID 58284901) is 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide is Cc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is HVPYHSLAUKYSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-11-20-15(12-2-4-13(19)5-3-12)10-22(11)17-9-8-16(24-17)18(23)21-14-6-7-14/h2-5,8-10,14H,6-7H2,1H3,(H,21,23).
What are the key properties of 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide?
5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 357.87 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 58284901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).