[4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol

C24H20Cl2F3N3O2 — CID 71158265

IUPAC[4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol
SMILESCCn1/c(=N\c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(CO)cc2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C24H20Cl2F3N3O2/c1-2-31-21-11-19(25)20(26)12-22(21)32(13-15-3-5-16(14-33)6-4-15)23(31)30-17-7-9-18(10-8-17)34-24(27,28)29/h3-12,33H,2,13-14H2,1H3/b30-23+
InChIKeyDWZMJKAJQTURTG-JJKYIXSRSA-N
MW510.34 g/mol
LogP6.44
Rot. Bonds6

About [4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol

[4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol (PubChem CID 71158265) has the molecular formula C24H20Cl2F3N3O2 and a molecular weight of 510.34 g/mol. Its IUPAC name is [4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol
PubChem CID71158265
Molecular FormulaC24H20Cl2F3N3O2
Molecular Weight510.34 g/mol
Exact Mass509.09
IUPAC Name[4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol
SMILESCCn1/c(=N\c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(CO)cc2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C24H20Cl2F3N3O2/c1-2-31-21-11-19(25)20(26)12-22(21)32(13-15-3-5-16(14-33)6-4-15)23(31)30-17-7-9-18(10-8-17)34-24(27,28)29/h3-12,33H,2,13-14H2,1H3/b30-23+
InChIKeyDWZMJKAJQTURTG-JJKYIXSRSA-N
XLogP6.44
TPSA51.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.34
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol (CID 71158265) is [4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol is CCn1/c(=N\c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(CO)cc2)c2cc(Cl)c(Cl)cc21.
What is the InChIKey of [4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol?
The InChIKey is DWZMJKAJQTURTG-JJKYIXSRSA-N. The full InChI is InChI=1S/C24H20Cl2F3N3O2/c1-2-31-21-11-19(25)20(26)12-22(21)32(13-15-3-5-16(14-33)6-4-15)23(31)30-17-7-9-18(10-8-17)34-24(27,28)29/h3-12,33H,2,13-14H2,1H3/b30-23+.
What are the key properties of [4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol?
[4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol has a molecular weight of 510.34 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5,6-dichloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]iminobenzimidazol-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 71158265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).