6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one

C18H15ClN4O — CID 155295381

IUPAC6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one
SMILESCc1c(-c2cccc(Cl)c2C2C=CC3=NC(=O)NC3=C2)cnn1C
InChIInChI=1S/C18H15ClN4O/c1-10-13(9-20-23(10)2)12-4-3-5-14(19)17(12)11-6-7-15-16(8-11)22-18(24)21-15/h3-9,11H,1-2H3,(H,22,24)
InChIKeyACQZTKLQPGAIFZ-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.75
Rot. Bonds2

About 6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one

6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one (PubChem CID 155295381) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one
PubChem CID155295381
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one
SMILESCc1c(-c2cccc(Cl)c2C2C=CC3=NC(=O)NC3=C2)cnn1C
InChIInChI=1S/C18H15ClN4O/c1-10-13(9-20-23(10)2)12-4-3-5-14(19)17(12)11-6-7-15-16(8-11)22-18(24)21-15/h3-9,11H,1-2H3,(H,22,24)
InChIKeyACQZTKLQPGAIFZ-UHFFFAOYSA-N
XLogP3.75
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one?
The IUPAC name of 6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one (CID 155295381) is 6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one is Cc1c(-c2cccc(Cl)c2C2C=CC3=NC(=O)NC3=C2)cnn1C.
What is the InChIKey of 6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one?
The InChIKey is ACQZTKLQPGAIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-10-13(9-20-23(10)2)12-4-3-5-14(19)17(12)11-6-7-15-16(8-11)22-18(24)21-15/h3-9,11H,1-2H3,(H,22,24).
What are the key properties of 6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one?
6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one has a molecular weight of 338.80 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-6-(1,5-dimethylpyrazol-4-yl)phenyl]-1,6-dihydrobenzimidazol-2-one is sourced from PubChem (CID 155295381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).