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

C17H17ClN2O — CID 3155712

IUPAC3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c18-14-9-7-13(8-10-14)12-20-16-5-2-1-4-15(16)19-17(20)6-3-11-21/h1-2,4-5,7-10,21H,3,6,11-12H2
InChIKeyAIFXCTORQHHYBV-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.66
Rot. Bonds5

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

3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 3155712) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
PubChem CID3155712
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c18-14-9-7-13(8-10-14)12-20-16-5-2-1-4-15(16)19-17(20)6-3-11-21/h1-2,4-5,7-10,21H,3,6,11-12H2
InChIKeyAIFXCTORQHHYBV-UHFFFAOYSA-N
XLogP3.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3160745
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2992677
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
3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2945925
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
4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine
CID 18885480
2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16982697
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol (CID 3155712) is 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol is OCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is AIFXCTORQHHYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-14-9-7-13(8-10-14)12-20-16-5-2-1-4-15(16)19-17(20)6-3-11-21/h1-2,4-5,7-10,21H,3,6,11-12H2.
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol?
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol has a molecular weight of 300.79 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 3155712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).