1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone

C25H22N4O2 — CID 91084844

IUPAC1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone
SMILESCC1CC=C(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C25H22N4O2/c1-16-6-8-17(9-7-16)22-25(27-15-14-26-22)31-19-12-10-18(11-13-19)23(30)24-28-20-4-2-3-5-21(20)29-24/h2-5,8,10-16H,6-7,9H2,1H3,(H,28,29)
InChIKeySPJCSWOKYAUENS-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.58
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone

1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone (PubChem CID 91084844) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone
PubChem CID91084844
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone
SMILESCC1CC=C(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C25H22N4O2/c1-16-6-8-17(9-7-16)22-25(27-15-14-26-22)31-19-12-10-18(11-13-19)23(30)24-28-20-4-2-3-5-21(20)29-24/h2-5,8,10-16H,6-7,9H2,1H3,(H,28,29)
InChIKeySPJCSWOKYAUENS-UHFFFAOYSA-N
XLogP5.58
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-benzimidazol-2-yl-[4-[3-[(4Z)-4-(methoxymethylidene)cyclohexen-1-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 163884753
4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one
CID 59351234
1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen
CID 143998309
1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327036
1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326938
1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 71080373
1-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 68608455
1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone
CID 59351281
(2R)-1-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-2-ethylpiperidine-3-carboxylic acid
CID 70893613
1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326971
3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 46207821
1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327120

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone (CID 91084844) is 1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone is CC1CC=C(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone?
The InChIKey is SPJCSWOKYAUENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-16-6-8-17(9-7-16)22-25(27-15-14-26-22)31-19-12-10-18(11-13-19)23(30)24-28-20-4-2-3-5-21(20)29-24/h2-5,8,10-16H,6-7,9H2,1H3,(H,28,29).
What are the key properties of 1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone?
1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone has a molecular weight of 410.48 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone is sourced from PubChem (CID 91084844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).