2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide

C19H16ClN5OS — CID 86913497

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN5OS/c20-14-7-5-13(6-8-14)11-25-17(9-10-21-25)24-18(26)12-27-19-22-15-3-1-2-4-16(15)23-19/h1-10H,11-12H2,(H,22,23)(H,24,26)
InChIKeyYDOPHWPQKMPWPC-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.19
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 86913497) has the molecular formula C19H16ClN5OS and a molecular weight of 397.89 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID86913497
Molecular FormulaC19H16ClN5OS
Molecular Weight397.89 g/mol
Exact Mass397.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN5OS/c20-14-7-5-13(6-8-14)11-25-17(9-10-21-25)24-18(26)12-27-19-22-15-3-1-2-4-16(15)23-19/h1-10H,11-12H2,(H,22,23)(H,24,26)
InChIKeyYDOPHWPQKMPWPC-UHFFFAOYSA-N
XLogP4.19
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806733
N-(2-benzylpyrazol-3-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 42332993
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 1363976
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
CID 2387242
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2-chlorophenyl)ethyl]acetamide
CID 7756256
3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoyl chloride
CID 135393737
N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide
CID 51233551
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806668
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 2881771
N-(4-chlorophenyl)-2-[(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 86280773
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30181995

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide (CID 86913497) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide is O=C(CSc1nc2ccccc2[nH]1)Nc1ccnn1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is YDOPHWPQKMPWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5OS/c20-14-7-5-13(6-8-14)11-25-17(9-10-21-25)24-18(26)12-27-19-22-15-3-1-2-4-16(15)23-19/h1-10H,11-12H2,(H,22,23)(H,24,26).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 397.89 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 86913497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).