5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

C21H17ClN4O2S — CID 24986899

IUPAC5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCOc1ncccc1-c1ccc(-n2cnc(CNC(=O)c3ccc(Cl)s3)c2)cc1
InChIInChI=1S/C21H17ClN4O2S/c1-28-21-17(3-2-10-23-21)14-4-6-16(7-5-14)26-12-15(25-13-26)11-24-20(27)18-8-9-19(22)29-18/h2-10,12-13H,11H2,1H3,(H,24,27)
InChIKeyXKITYJYGSAIICA-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.59
Rot. Bonds6

About 5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 24986899) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is 5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
PubChem CID24986899
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC Name5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCOc1ncccc1-c1ccc(-n2cnc(CNC(=O)c3ccc(Cl)s3)c2)cc1
InChIInChI=1S/C21H17ClN4O2S/c1-28-21-17(3-2-10-23-21)14-4-6-16(7-5-14)26-12-15(25-13-26)11-24-20(27)18-8-9-19(22)29-18/h2-10,12-13H,11H2,1H3,(H,24,27)
InChIKeyXKITYJYGSAIICA-UHFFFAOYSA-N
XLogP4.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (CID 24986899) is 5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is COc1ncccc1-c1ccc(-n2cnc(CNC(=O)c3ccc(Cl)s3)c2)cc1.
What is the InChIKey of 5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is XKITYJYGSAIICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c1-28-21-17(3-2-10-23-21)14-4-6-16(7-5-14)26-12-15(25-13-26)11-24-20(27)18-8-9-19(22)29-18/h2-10,12-13H,11H2,1H3,(H,24,27).
What are the key properties of 5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 424.91 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-[4-(2-methoxy-3-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 24986899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).