(1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone

C27H22N4O2 — CID 59326805

IUPAC(1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCc1cnc(Oc2ccc(C(=O)c3nc4ccccc4n3C)cc2)c(-c2ccnc(C)c2)c1
InChIInChI=1S/C27H22N4O2/c1-17-14-22(20-12-13-28-18(2)15-20)27(29-16-17)33-21-10-8-19(9-11-21)25(32)26-30-23-6-4-5-7-24(23)31(26)3/h4-16H,1-3H3
InChIKeyLDODSZJJIRIMBY-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.67
Rot. Bonds5

About (1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone

(1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59326805) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is (1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name(1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59326805
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Name(1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCc1cnc(Oc2ccc(C(=O)c3nc4ccccc4n3C)cc2)c(-c2ccnc(C)c2)c1
InChIInChI=1S/C27H22N4O2/c1-17-14-22(20-12-13-28-18(2)15-20)27(29-16-17)33-21-10-8-19(9-11-21)25(32)26-30-23-6-4-5-7-24(23)31(26)3/h4-16H,1-3H3
InChIKeyLDODSZJJIRIMBY-UHFFFAOYSA-N
XLogP5.67
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of (1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone (CID 59326805) is (1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for (1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for (1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone is Cc1cnc(Oc2ccc(C(=O)c3nc4ccccc4n3C)cc2)c(-c2ccnc(C)c2)c1.
What is the InChIKey of (1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is LDODSZJJIRIMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c1-17-14-22(20-12-13-28-18(2)15-20)27(29-16-17)33-21-10-8-19(9-11-21)25(32)26-30-23-6-4-5-7-24(23)31(26)3/h4-16H,1-3H3.
What are the key properties of (1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
(1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 434.50 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-2-yl)-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59326805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).