1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole

C19H15F3N4O — CID 154234917

IUPAC1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole
SMILESCc1nc2ccc(F)cc2n1C1N=CC=CN1c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H15F3N4O/c1-12-24-16-8-3-13(20)11-17(16)26(12)19-23-9-2-10-25(19)14-4-6-15(7-5-14)27-18(21)22/h2-11,18-19H,1H3
InChIKeyKKOIWFMKCKMAMZ-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.65
Rot. Bonds4

About 1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole

1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole (PubChem CID 154234917) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole
PubChem CID154234917
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole
SMILESCc1nc2ccc(F)cc2n1C1N=CC=CN1c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H15F3N4O/c1-12-24-16-8-3-13(20)11-17(16)26(12)19-23-9-2-10-25(19)14-4-6-15(7-5-14)27-18(21)22/h2-11,18-19H,1H3
InChIKeyKKOIWFMKCKMAMZ-UHFFFAOYSA-N
XLogP4.65
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole
CID 154440587
6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole
CID 90178068
6-fluoro-2-methyl-1-phenylbenzimidazole
CID 25216870
4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile
CID 83418617
1-cyclopropyl-2-(diethoxymethyl)-6-fluorobenzimidazole
CID 63772330
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 46108984
4-(6-fluoro-2-methylbenzimidazol-1-yl)benzenesulfinate
CID 91048066
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 75145339
N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520644
2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 46109112
4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805768
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole?
The IUPAC name of 1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole (CID 154234917) is 1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole.
What is the SMILES notation for 1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole?
The canonical SMILES for 1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole is Cc1nc2ccc(F)cc2n1C1N=CC=CN1c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole?
The InChIKey is KKOIWFMKCKMAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-12-24-16-8-3-13(20)11-17(16)26(12)19-23-9-2-10-25(19)14-4-6-15(7-5-14)27-18(21)22/h2-11,18-19H,1H3.
What are the key properties of 1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole?
1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole has a molecular weight of 372.35 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole is sourced from PubChem (CID 154234917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).