[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol

C21H16BrClFN3O — CID 58324189

IUPAC[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol
SMILESCn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(C(O)c3ccccn3)cc21
InChIInChI=1S/C21H16BrClFN3O/c1-27-11-26-20-18(27)10-15(21(28)17-4-2-3-7-25-17)14(19(20)24)8-12-5-6-13(22)9-16(12)23/h2-7,9-11,21,28H,8H2,1H3
InChIKeyKPDSPKMUGOWDLB-UHFFFAOYSA-N
MW460.73 g/mol
LogP5.20
Rot. Bonds4

About [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol

[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol (PubChem CID 58324189) has the molecular formula C21H16BrClFN3O and a molecular weight of 460.73 g/mol. Its IUPAC name is [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol
PubChem CID58324189
Molecular FormulaC21H16BrClFN3O
Molecular Weight460.73 g/mol
Exact Mass459.01
IUPAC Name[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol
SMILESCn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(C(O)c3ccccn3)cc21
InChIInChI=1S/C21H16BrClFN3O/c1-27-11-26-20-18(27)10-15(21(28)17-4-2-3-7-25-17)14(19(20)24)8-12-5-6-13(22)9-16(12)23/h2-7,9-11,21,28H,8H2,1H3
InChIKeyKPDSPKMUGOWDLB-UHFFFAOYSA-N
XLogP5.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.73
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 11442581
CID 11442581
CID 17963436
CID 17963436
CID 24768819
CID 24768819
CID 46205015
CID 46205015
CID 46205016
CID 46205016
CID 46205357
CID 46205357
CID 46205358
CID 46205358
CID 46205360
CID 46205360
CID 46206350
CID 46206350
CID 58324162
CID 58324162
CID 58324349
CID 58324349
CID 67152159
CID 67152159

Frequently Asked Questions

What is the IUPAC name of [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol?
The IUPAC name of [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol (CID 58324189) is [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol is Cn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(C(O)c3ccccn3)cc21.
What is the InChIKey of [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol?
The InChIKey is KPDSPKMUGOWDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClFN3O/c1-27-11-26-20-18(27)10-15(21(28)17-4-2-3-7-25-17)14(19(20)24)8-12-5-6-13(22)9-16(12)23/h2-7,9-11,21,28H,8H2,1H3.
What are the key properties of [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol?
[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol has a molecular weight of 460.73 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 58324189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).