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

C17H16Cl2N2O — CID 3160745

IUPAC3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O/c18-13-8-7-12(10-14(13)19)11-21-16-5-2-1-4-15(16)20-17(21)6-3-9-22/h1-2,4-5,7-8,10,22H,3,6,9,11H2
InChIKeyCNFLGZPJSLFTDN-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.32
Rot. Bonds5

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

3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 3160745) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is 3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
PubChem CID3160745
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O/c18-13-8-7-12(10-14(13)19)11-21-16-5-2-1-4-15(16)20-17(21)6-3-9-22/h1-2,4-5,7-8,10,22H,3,6,9,11H2
InChIKeyCNFLGZPJSLFTDN-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-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2992677
N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987846
N-[3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981428
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3827854
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975738
2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993675
3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2947354
2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 15069285
2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979261
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol (CID 3160745) is 3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol is OCCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is CNFLGZPJSLFTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-13-8-7-12(10-14(13)19)11-21-16-5-2-1-4-15(16)20-17(21)6-3-9-22/h1-2,4-5,7-8,10,22H,3,6,9,11H2.
What are the key properties of 3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol?
3-[1-[(3,4-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-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 3160745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).