4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide

C17H16ClN3OS — CID 44526241

IUPAC4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1cnc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)cs2)[nH]1
InChIInChI=1S/C17H16ClN3OS/c1-11-9-20-16(21-11)6-7-19-17(22)15-8-13(10-23-15)12-2-4-14(18)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,19,22)(H,20,21)
InChIKeyQHWPGTFFPKXHKE-UHFFFAOYSA-N
MW345.86 g/mol
LogP4.07
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide

4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 44526241) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID44526241
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1cnc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)cs2)[nH]1
InChIInChI=1S/C17H16ClN3OS/c1-11-9-20-16(21-11)6-7-19-17(22)15-8-13(10-23-15)12-2-4-14(18)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,19,22)(H,20,21)
InChIKeyQHWPGTFFPKXHKE-UHFFFAOYSA-N
XLogP4.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Azole, 8
CID 53348138
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CID 58284901
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CID 122423954
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2-(5-chlorothiophen-2-yl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide
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1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylthiophen-2-yl)pyridin-2-one
CID 10039581
2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one
CID 15026238
5-chloro-N-[3-(4-phenylimidazol-1-yl)propyl]thiophene-2-carboxamide
CID 44265551
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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide (CID 44526241) is 4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide is Cc1cnc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)cs2)[nH]1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is QHWPGTFFPKXHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-11-9-20-16(21-11)6-7-19-17(22)15-8-13(10-23-15)12-2-4-14(18)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide?
4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 345.86 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 44526241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).