2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone

C23H22N4O3 — CID 157062081

IUPAC2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone
SMILESCOc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)cc(O)c1C(=O)CC1CC1
InChIInChI=1S/C23H22N4O3/c1-26-12-16(11-25-26)15-5-6-19-18(8-15)24-13-27(19)17-9-21(29)23(22(10-17)30-2)20(28)7-14-3-4-14/h5-6,8-14,29H,3-4,7H2,1-2H3
InChIKeyFEOOPGIHSZQUSV-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.12
Rot. Bonds6

About 2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone

2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone (PubChem CID 157062081) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone
PubChem CID157062081
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone
SMILESCOc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)cc(O)c1C(=O)CC1CC1
InChIInChI=1S/C23H22N4O3/c1-26-12-16(11-25-26)15-5-6-19-18(8-15)24-13-27(19)17-9-21(29)23(22(10-17)30-2)20(28)7-14-3-4-14/h5-6,8-14,29H,3-4,7H2,1-2H3
InChIKeyFEOOPGIHSZQUSV-UHFFFAOYSA-N
XLogP4.12
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclobutyl-1-[4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxyphenyl]ethanone
CID 161402113
(3S)-1-[2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]-4,4,4-trifluoro-3-methylbutan-1-one
CID 158547193
1-[2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]-4-methylsulfonylbutan-1-one
CID 162190094
1-[4-[5-[1-(azetidin-3-yl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxyphenyl]-4,4,4-trifluorobutan-1-one
CID 158904532
2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid
CID 118559083
[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone
CID 155162793
methyl 3-[1-(2-chloro-3-hydroxyphenyl)ethoxy]-5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]thiophene-2-carboxylate
CID 71147666
1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole
CID 151698177
[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 155162803
4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 150717959
azetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone
CID 155162795
2,6-dimethoxy-4-[5-(1-methylimidazol-2-yl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 151038963

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone (CID 157062081) is 2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone is COc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)cc(O)c1C(=O)CC1CC1.
What is the InChIKey of 2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone?
The InChIKey is FEOOPGIHSZQUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-26-12-16(11-25-26)15-5-6-19-18(8-15)24-13-27(19)17-9-21(29)23(22(10-17)30-2)20(28)7-14-3-4-14/h5-6,8-14,29H,3-4,7H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone?
2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone has a molecular weight of 402.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone is sourced from PubChem (CID 157062081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).