5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one

C22H25N5O — CID 46976832

IUPAC5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one
SMILESCc1cc(C)n(-c2ccc(NCc3cc4c(cc3C)n(C)c(=O)n4C)cc2)n1
InChIInChI=1S/C22H25N5O/c1-14-10-20-21(26(5)22(28)25(20)4)12-17(14)13-23-18-6-8-19(9-7-18)27-16(3)11-15(2)24-27/h6-12,23H,13H2,1-5H3
InChIKeyFHENHPYVUNTPAV-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.60
Rot. Bonds4

About 5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one

5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one (PubChem CID 46976832) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one
PubChem CID46976832
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one
SMILESCc1cc(C)n(-c2ccc(NCc3cc4c(cc3C)n(C)c(=O)n4C)cc2)n1
InChIInChI=1S/C22H25N5O/c1-14-10-20-21(26(5)22(28)25(20)4)12-17(14)13-23-18-6-8-19(9-7-18)27-16(3)11-15(2)24-27/h6-12,23H,13H2,1-5H3
InChIKeyFHENHPYVUNTPAV-UHFFFAOYSA-N
XLogP3.60
TPSA56.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-diethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581376
1,3-diethyl-5-[1-(3-methylphenyl)-1H-pyrazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647075
1,3-diethyl-5-(4-phenyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647070
1-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea
CID 893630
1-benzyl-3-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]urea
CID 26743431
N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509944
N-[4-(1-propyl-1H-pyrazol-4-yl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509946
1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-phenylurea
CID 26743430
1-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-3-phenylurea
CID 26743422
1-[(1S,4S)-4-[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea
CID 40780378
1-(3-Methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one
CID 58483593
1-(3-Ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one
CID 58483599

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one?
The IUPAC name of 5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one (CID 46976832) is 5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one?
The canonical SMILES for 5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one is Cc1cc(C)n(-c2ccc(NCc3cc4c(cc3C)n(C)c(=O)n4C)cc2)n1.
What is the InChIKey of 5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one?
The InChIKey is FHENHPYVUNTPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-14-10-20-21(26(5)22(28)25(20)4)12-17(14)13-23-18-6-8-19(9-7-18)27-16(3)11-15(2)24-27/h6-12,23H,13H2,1-5H3.
What are the key properties of 5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one?
5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one has a molecular weight of 375.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3,5-dimethylpyrazol-1-yl)anilino]methyl]-1,3,6-trimethylbenzimidazol-2-one is sourced from PubChem (CID 46976832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).