2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one

C19H16ClN5O — CID 3119735

IUPAC2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one
SMILESCc1nc2ccc(/N=C/c3c(C)[nH]n(-c4cccc(Cl)c4)c3=O)cc2[nH]1
InChIInChI=1S/C19H16ClN5O/c1-11-16(19(26)25(24-11)15-5-3-4-13(20)8-15)10-21-14-6-7-17-18(9-14)23-12(2)22-17/h3-10,24H,1-2H3,(H,22,23)/b21-10+
InChIKeyIZHXBSMEBIWRAC-UFFVCSGVSA-N
MW365.82 g/mol
LogP4.06
Rot. Bonds3

About 2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one

2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one (PubChem CID 3119735) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one
PubChem CID3119735
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one
SMILESCc1nc2ccc(/N=C/c3c(C)[nH]n(-c4cccc(Cl)c4)c3=O)cc2[nH]1
InChIInChI=1S/C19H16ClN5O/c1-11-16(19(26)25(24-11)15-5-3-4-13(20)8-15)10-21-14-6-7-17-18(9-14)23-12(2)22-17/h3-10,24H,1-2H3,(H,22,23)/b21-10+
InChIKeyIZHXBSMEBIWRAC-UFFVCSGVSA-N
XLogP4.06
TPSA78.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Amino-5-chloro-3-[6-(4-methylpiperazinyl)benzimidazol-2-yl]hydroquinolin-2-one
CID 135674147
(E)-4-(((1H-benzo[d]imidazol-2-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
CID 689375
N-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide
CID 53237679
3-(1H-benzimidazol-2-ylmethyl)-1-phenyl-1H-pyrazol-5-ol
CID 7342600
N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 45916047
4-(1H-benzimidazol-2-yl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 376346
4-(2-(4-(1h-Benzimidazol-2-yl)phenyl)hydrazono)-1-(4-chlorophenyl)-3-methyl-1h-pyrazol-5(4h)-one
CID 137250153
N-(3H-benzimidazol-5-yl)-1,2-bis(3-chlorophenyl)-3-oxopyrazolidine-4-carboxamide
CID 177381788
6-[3-(5-chloro-1H-1,3-benzimidazol-2-yl)propanoyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
CID 87052507
7-[3-(5-chloro-1H-1,3-benzimidazol-2-yl)propanoyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 87052589
1-(3-chloro-4-fluorophenyl)-3-[2-(2-oxo-1H-cyclohepta[b]pyrrol-3-yl)-3H-benzimidazol-5-yl]urea
CID 136157045
4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 14470918

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one (CID 3119735) is 2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one is Cc1nc2ccc(/N=C/c3c(C)[nH]n(-c4cccc(Cl)c4)c3=O)cc2[nH]1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one?
The InChIKey is IZHXBSMEBIWRAC-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-11-16(19(26)25(24-11)15-5-3-4-13(20)8-15)10-21-14-6-7-17-18(9-14)23-12(2)22-17/h3-10,24H,1-2H3,(H,22,23)/b21-10+.
What are the key properties of 2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one?
2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one has a molecular weight of 365.82 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-1H-pyrazol-3-one is sourced from PubChem (CID 3119735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).