6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole

C19H15ClF2N4O — CID 90178068

IUPAC6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole
SMILESCc1nc2ccc(Cl)cc2n1C1=NC=CCN1c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H15ClF2N4O/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/h2-9,11,18H,10H2,1H3
InChIKeyZGSDWVQJIWDPTL-UHFFFAOYSA-N
MW388.81 g/mol
LogP4.84
Rot. Bonds3

About 6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole

6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole (PubChem CID 90178068) has the molecular formula C19H15ClF2N4O and a molecular weight of 388.81 g/mol. Its IUPAC name is 6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole
PubChem CID90178068
Molecular FormulaC19H15ClF2N4O
Molecular Weight388.81 g/mol
Exact Mass388.09
IUPAC Name6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole
SMILESCc1nc2ccc(Cl)cc2n1C1=NC=CCN1c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H15ClF2N4O/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/h2-9,11,18H,10H2,1H3
InChIKeyZGSDWVQJIWDPTL-UHFFFAOYSA-N
XLogP4.84
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-fluoro-3-(4-methoxyphenyl)-4H-pyrimidin-2-yl]-2-methylbenzimidazol-5-amine
CID 90178171
6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 122420888
2-(6-amino-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-amino-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 163785340
2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole
CID 69245551
2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole
CID 90178083
17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene
CID 178170199
1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole
CID 154234917
6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole
CID 155921327
6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine
CID 164625204
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 163578562
2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole
CID 118095476

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole?
The IUPAC name of 6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole (CID 90178068) is 6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole.
What is the SMILES notation for 6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole?
The canonical SMILES for 6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole is Cc1nc2ccc(Cl)cc2n1C1=NC=CCN1c1ccc(OC(F)F)cc1.
What is the InChIKey of 6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole?
The InChIKey is ZGSDWVQJIWDPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4O/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/h2-9,11,18H,10H2,1H3.
What are the key properties of 6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole?
6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole has a molecular weight of 388.81 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole is sourced from PubChem (CID 90178068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).