2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine

C24H20F2N6O — CID 66679822

IUPAC2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
SMILESCOc1nc(Nc2cccc3c2nc(-c2ccc(F)c(F)c2)n3C)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H20F2N6O/c1-14-12-32(13-27-14)20-9-10-21(29-24(20)33-3)28-18-5-4-6-19-22(18)30-23(31(19)2)15-7-8-16(25)17(26)11-15/h4-13H,1-3H3,(H,28,29)
InChIKeyOUFQEFGTOZUXTQ-UHFFFAOYSA-N
MW446.46 g/mol
LogP5.16
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine

2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine (PubChem CID 66679822) has the molecular formula C24H20F2N6O and a molecular weight of 446.46 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
PubChem CID66679822
Molecular FormulaC24H20F2N6O
Molecular Weight446.46 g/mol
Exact Mass446.17
IUPAC Name2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
SMILESCOc1nc(Nc2cccc3c2nc(-c2ccc(F)c(F)c2)n3C)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H20F2N6O/c1-14-12-32(13-27-14)20-9-10-21(29-24(20)33-3)28-18-5-4-6-19-22(18)30-23(31(19)2)15-7-8-16(25)17(26)11-15/h4-13H,1-3H3,(H,28,29)
InChIKeyOUFQEFGTOZUXTQ-UHFFFAOYSA-N
XLogP5.16
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-bromo-4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
CID 66679592
2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
CID 46861576
2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
CID 66679431
[6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 58065694
6-(3,5-difluorophenyl)-2-methoxy-3-(4-methylimidazol-1-yl)pyridine
CID 171682304
8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339677
2-(4-fluorophenyl)-N-[3-methoxy-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine
CID 66679084
1-ethyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3,3,3-trifluoropropyl)benzimidazol-4-amine
CID 66679933
2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine
CID 58065695
N-(2-fluoro-4-methylphenyl)-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methyl-1,2,4-triazol-3-amine
CID 66856034
N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-1,6-dimethylimidazo[4,5-c]pyridin-4-amine;methanesulfonic acid
CID 46869587
5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine
CID 66679511

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine (CID 66679822) is 2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine is COc1nc(Nc2cccc3c2nc(-c2ccc(F)c(F)c2)n3C)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The InChIKey is OUFQEFGTOZUXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O/c1-14-12-32(13-27-14)20-9-10-21(29-24(20)33-3)28-18-5-4-6-19-22(18)30-23(31(19)2)15-7-8-16(25)17(26)11-15/h4-13H,1-3H3,(H,28,29).
What are the key properties of 2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine has a molecular weight of 446.46 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine is sourced from PubChem (CID 66679822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).