[4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol

C15H11Cl3N2O2 — CID 135359035

IUPAC[4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2c(Cl)c(Cl)c(OCc3ccc(Cl)cc3)cc2[nH]1
InChIInChI=1S/C15H11Cl3N2O2/c16-9-3-1-8(2-4-9)7-22-11-5-10-15(14(18)13(11)17)20-12(6-21)19-10/h1-5,21H,6-7H2,(H,19,20)
InChIKeyKKXMNILHXHPXTQ-UHFFFAOYSA-N
MW357.62 g/mol
LogP4.59
Rot. Bonds4

About [4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol

[4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol (PubChem CID 135359035) has the molecular formula C15H11Cl3N2O2 and a molecular weight of 357.62 g/mol. Its IUPAC name is [4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol
PubChem CID135359035
Molecular FormulaC15H11Cl3N2O2
Molecular Weight357.62 g/mol
Exact Mass355.99
IUPAC Name[4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2c(Cl)c(Cl)c(OCc3ccc(Cl)cc3)cc2[nH]1
InChIInChI=1S/C15H11Cl3N2O2/c16-9-3-1-8(2-4-9)7-22-11-5-10-15(14(18)13(11)17)20-12(6-21)19-10/h1-5,21H,6-7H2,(H,19,20)
InChIKeyKKXMNILHXHPXTQ-UHFFFAOYSA-N
XLogP4.59
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.62
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol
CID 135358756
[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol
CID 135358909
[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methanol
CID 65126484
[5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol
CID 142453794
6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane
CID 142453994
[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol
CID 66529304
[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
[6-[(4-chlorophenyl)methoxy]pyrazin-2-yl]methanol
CID 66465273
4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-3-[(4-methylphenyl)methoxy]benzoic acid
CID 59886987
4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
CID 112630475
3-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]prop-2-yn-1-ol
CID 63214756
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602

Frequently Asked Questions

What is the IUPAC name of [4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol?
The IUPAC name of [4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol (CID 135359035) is [4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol.
What is the SMILES notation for [4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol?
The canonical SMILES for [4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol is OCc1nc2c(Cl)c(Cl)c(OCc3ccc(Cl)cc3)cc2[nH]1.
What is the InChIKey of [4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol?
The InChIKey is KKXMNILHXHPXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O2/c16-9-3-1-8(2-4-9)7-22-11-5-10-15(14(18)13(11)17)20-12(6-21)19-10/h1-5,21H,6-7H2,(H,19,20).
What are the key properties of [4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol?
[4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol has a molecular weight of 357.62 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dichloro-6-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol is sourced from PubChem (CID 135359035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).