3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol

C17H16Cl2N2O — CID 2992677

IUPAC3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H16Cl2N2O/c18-13-5-3-6-14(19)12(13)11-21-16-8-2-1-7-15(16)20-17(21)9-4-10-22/h1-3,5-8,22H,4,9-11H2
InChIKeyXPPBQVIHZZMRDA-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.32
Rot. Bonds5

About 3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol

3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 2992677) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is 3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
PubChem CID2992677
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H16Cl2N2O/c18-13-5-3-6-14(19)12(13)11-21-16-8-2-1-7-15(16)20-17(21)9-4-10-22/h1-3,5-8,22H,4,9-11H2
InChIKeyXPPBQVIHZZMRDA-UHFFFAOYSA-N
XLogP4.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2947354
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3160745
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 16980824
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981634
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983008
N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988485
2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole
CID 18878418
1-[(2-chloro-6-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885542
3-chloro-2-[(2-ethylbenzimidazol-1-yl)methyl]aniline
CID 63745945
N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974719
1-[(2,6-dichlorophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987371

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol (CID 2992677) is 3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol is OCCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is XPPBQVIHZZMRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-13-5-3-6-14(19)12(13)11-21-16-8-2-1-7-15(16)20-17(21)9-4-10-22/h1-3,5-8,22H,4,9-11H2.
What are the key properties of 3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol?
3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol has a molecular weight of 335.23 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 2992677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).