N-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide

C18H16FN3OS — CID 58284916

IUPACN-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)cn1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C18H16FN3OS/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)
InChIKeyLCLJXBDSHALYPB-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.94
Rot. Bonds4

About N-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide

N-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide (PubChem CID 58284916) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is N-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide
PubChem CID58284916
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC NameN-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)cn1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C18H16FN3OS/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)
InChIKeyLCLJXBDSHALYPB-UHFFFAOYSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide (CID 58284916) is N-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide is Cc1nc(-c2ccc(F)cc2)cn1-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide?
The InChIKey is LCLJXBDSHALYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/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 N-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide?
N-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 58284916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).