5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide

C16H13Cl2N3OS — CID 25344825

IUPAC5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCn1ccnc1[C@@H](NC(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2N3OS/c1-21-9-8-19-15(21)14(10-2-4-11(17)5-3-10)20-16(22)12-6-7-13(18)23-12/h2-9,14H,1H3,(H,20,22)/t14-/m0/s1
InChIKeyOXHJMQZKBGKXJQ-AWEZNQCLSA-N
MW366.27 g/mol
LogP4.31
Rot. Bonds4

About 5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide

5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 25344825) has the molecular formula C16H13Cl2N3OS and a molecular weight of 366.27 g/mol. Its IUPAC name is 5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
PubChem CID25344825
Molecular FormulaC16H13Cl2N3OS
Molecular Weight366.27 g/mol
Exact Mass365.02
IUPAC Name5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCn1ccnc1[C@@H](NC(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2N3OS/c1-21-9-8-19-15(21)14(10-2-4-11(17)5-3-10)20-16(22)12-6-7-13(18)23-12/h2-9,14H,1H3,(H,20,22)/t14-/m0/s1
InChIKeyOXHJMQZKBGKXJQ-AWEZNQCLSA-N
XLogP4.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31313716
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 24532879
(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
CID 119273847
4-(5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 42937336
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbut-2-enamide
CID 43048455
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 25325592
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 51645392
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 43013985
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropoxy)benzamide
CID 25325512

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide (CID 25344825) is 5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide is Cn1ccnc1[C@@H](NC(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is OXHJMQZKBGKXJQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13Cl2N3OS/c1-21-9-8-19-15(21)14(10-2-4-11(17)5-3-10)20-16(22)12-6-7-13(18)23-12/h2-9,14H,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 366.27 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25344825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).