1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol

C16H14Cl2N2O — CID 105086748

IUPAC1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)cc1Cl)Cn1cnc2ccccc21
InChIInChI=1S/C16H14Cl2N2O/c17-12-6-5-11(14(18)8-12)7-13(21)9-20-10-19-15-3-1-2-4-16(15)20/h1-6,8,10,13,21H,7,9H2
InChIKeyNPHDLWHZZLJWTI-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.95
Rot. Bonds4

About 1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol

1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol (PubChem CID 105086748) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol
PubChem CID105086748
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)cc1Cl)Cn1cnc2ccccc21
InChIInChI=1S/C16H14Cl2N2O/c17-12-6-5-11(14(18)8-12)7-13(21)9-20-10-19-15-3-1-2-4-16(15)20/h1-6,8,10,13,21H,7,9H2
InChIKeyNPHDLWHZZLJWTI-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
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1-(benzimidazol-1-yl)butan-2-ol
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1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol
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1,3-bis(2,4-dichlorophenyl)propan-2-ol
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CID 105087259
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70382628
[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine
CID 102663221
1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 60798841
1-(benzimidazol-1-yl)decan-2-ol
CID 105085738
(2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol?
The IUPAC name of 1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol (CID 105086748) is 1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol is OC(Cc1ccc(Cl)cc1Cl)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol?
The InChIKey is NPHDLWHZZLJWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-12-6-5-11(14(18)8-12)7-13(21)9-20-10-19-15-3-1-2-4-16(15)20/h1-6,8,10,13,21H,7,9H2.
What are the key properties of 1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol?
1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol has a molecular weight of 321.21 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 105086748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).