4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C38H27Cl2F6N11O — CID 157269823

IUPAC4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1nc2ccc(Cl)cc2n1-c1cc(=O)[nH]c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H14ClF3N6.C19H13ClF3N5O/c1-10-25-14-7-4-12(20)8-15(14)29(10)17-9-16(24)27-18(28-17)26-13-5-2-11(3-6-13)19(21,22)23;1-10-24-14-7-4-12(20)8-15(14)28(10)16-9-17(29)27-18(26-16)25-13-5-2-11(3-6-13)19(21,22)23/h2-9H,1H3,(H3,24,26,27,28);2-9H,1H3,(H2,25,26,27,29)
InChIKeyAYKFXVAFOOPANV-UHFFFAOYSA-N
MW838.60 g/mol
LogP9.95
Rot. Bonds6

About 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 157269823) has the molecular formula C38H27Cl2F6N11O and a molecular weight of 838.60 g/mol. Its IUPAC name is 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID157269823
Molecular FormulaC38H27Cl2F6N11O
Molecular Weight838.60 g/mol
Exact Mass837.17
IUPAC Name4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1nc2ccc(Cl)cc2n1-c1cc(=O)[nH]c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H14ClF3N6.C19H13ClF3N5O/c1-10-25-14-7-4-12(20)8-15(14)29(10)17-9-16(24)27-18(28-17)26-13-5-2-11(3-6-13)19(21,22)23;1-10-24-14-7-4-12(20)8-15(14)28(10)16-9-17(29)27-18(26-16)25-13-5-2-11(3-6-13)19(21,22)23/h2-9H,1H3,(H3,24,26,27,28);2-9H,1H3,(H2,25,26,27,29)
InChIKeyAYKFXVAFOOPANV-UHFFFAOYSA-N
XLogP9.95
TPSA157.25 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500838.60
LogP ≤ 59.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766643
2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766711
2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766713
2-(6-chloro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 90177924
2-(5-chloro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 90178404
4-chloro-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 117929319
4-chloro-6-(6-fluoro-2-methyl-1H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 117929517
6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 117929547
6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 117929580
6-(6-chloro-2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 117929738
4-chloro-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 117929765
4-chloro-6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 117929822

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 157269823) is 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Cc1nc2ccc(Cl)cc2n1-c1cc(=O)[nH]c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is AYKFXVAFOOPANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N6.C19H13ClF3N5O/c1-10-25-14-7-4-12(20)8-15(14)29(10)17-9-16(24)27-18(28-17)26-13-5-2-11(3-6-13)19(21,22)23;1-10-24-14-7-4-12(20)8-15(14)28(10)16-9-17(29)27-18(26-16)25-13-5-2-11(3-6-13)19(21,22)23/h2-9H,1H3,(H3,24,26,27,28);2-9H,1H3,(H2,25,26,27,29).
What are the key properties of 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 838.60 g/mol, XLogP of 9.95, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 157269823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).