N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide

C19H14ClN5O2 — CID 53367843

IUPACN-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H14ClN5O2/c20-13-6-2-1-5-12(13)14-9-10-18(27)25(24-14)11-17(26)23-19-21-15-7-3-4-8-16(15)22-19/h1-10H,11H2,(H2,21,22,23,26)
InChIKeyBRPJXEPMRGPRKK-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.08
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide

N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 53367843) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID53367843
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H14ClN5O2/c20-13-6-2-1-5-12(13)14-9-10-18(27)25(24-14)11-17(26)23-19-21-15-7-3-4-8-16(15)22-19/h1-10H,11H2,(H2,21,22,23,26)
InChIKeyBRPJXEPMRGPRKK-UHFFFAOYSA-N
XLogP3.08
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052073
N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51044493
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 71704635
N-(2,3-dichlorophenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7672039
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 53367933
(2R)-2-[[2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-methylbutanoic acid
CID 95395393
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370217
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 53367656
4-[[[2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]methyl]benzoic acid
CID 53370001
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-propan-2-ylindol-4-yl)acetamide
CID 56761363
2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide
CID 112528014
2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide
CID 55214703

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide (CID 53367843) is N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is BRPJXEPMRGPRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-13-6-2-1-5-12(13)14-9-10-18(27)25(24-14)11-17(26)23-19-21-15-7-3-4-8-16(15)22-19/h1-10H,11H2,(H2,21,22,23,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 379.81 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 53367843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).