[6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol

C14H10BrClFN3O — CID 11428680

IUPAC[6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol
SMILESOCc1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C14H10BrClFN3O/c15-8-1-2-10(9(16)4-8)20-13-7(5-21)3-11-14(12(13)17)19-6-18-11/h1-4,6,20-21H,5H2,(H,18,19)
InChIKeyFHAVWVCECJAGMW-UHFFFAOYSA-N
MW370.61 g/mol
LogP4.35
Rot. Bonds3

About [6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol

[6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol (PubChem CID 11428680) has the molecular formula C14H10BrClFN3O and a molecular weight of 370.61 g/mol. Its IUPAC name is [6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol
PubChem CID11428680
Molecular FormulaC14H10BrClFN3O
Molecular Weight370.61 g/mol
Exact Mass368.97
IUPAC Name[6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol
SMILESOCc1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C14H10BrClFN3O/c15-8-1-2-10(9(16)4-8)20-13-7(5-21)3-11-14(12(13)17)19-6-18-11/h1-4,6,20-21H,5H2,(H,18,19)
InChIKeyFHAVWVCECJAGMW-UHFFFAOYSA-N
XLogP4.35
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol?
The IUPAC name of [6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol (CID 11428680) is [6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol.
What is the SMILES notation for [6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol?
The canonical SMILES for [6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol is OCc1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1Cl.
What is the InChIKey of [6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol?
The InChIKey is FHAVWVCECJAGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFN3O/c15-8-1-2-10(9(16)4-8)20-13-7(5-21)3-11-14(12(13)17)19-6-18-11/h1-4,6,20-21H,5H2,(H,18,19).
What are the key properties of [6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol?
[6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol has a molecular weight of 370.61 g/mol, XLogP of 4.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 11428680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).