4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one

C19H19N5O — CID 3967141

IUPAC4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(NCn2cnc3ccccc32)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H19N5O/c1-14-18(19(25)24(22(14)2)15-8-4-3-5-9-15)21-13-23-12-20-16-10-6-7-11-17(16)23/h3-12,21H,13H2,1-2H3
InChIKeyWZHIOBNPKBGDPR-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.90
Rot. Bonds4

About 4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one

4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 3967141) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID3967141
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(NCn2cnc3ccccc32)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H19N5O/c1-14-18(19(25)24(22(14)2)15-8-4-3-5-9-15)21-13-23-12-20-16-10-6-7-11-17(16)23/h3-12,21H,13H2,1-2H3
InChIKeyWZHIOBNPKBGDPR-UHFFFAOYSA-N
XLogP2.90
TPSA56.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonic acid
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[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methyl hydrogen sulfite
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1,5-dimethyl-4-(octylamino)-2-phenylpyrazol-3-one
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3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-ethyl-1-phenylthiourea
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4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 110823611
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinoline-3-carboxamide
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CID 21924

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one (CID 3967141) is 4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(NCn2cnc3ccccc32)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is WZHIOBNPKBGDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-18(19(25)24(22(14)2)15-8-4-3-5-9-15)21-13-23-12-20-16-10-6-7-11-17(16)23/h3-12,21H,13H2,1-2H3.
What are the key properties of 4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 333.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 3967141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).