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

C20H24N2O2 — CID 3827854

IUPAC3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol
SMILESCCCOc1ccc(Cn2c(CCCO)nc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-2-14-24-17-11-9-16(10-12-17)15-22-19-7-4-3-6-18(19)21-20(22)8-5-13-23/h3-4,6-7,9-12,23H,2,5,8,13-15H2,1H3
InChIKeyWOLFDSMVWIQLOT-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.80
Rot. Bonds8

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

3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 3827854) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol
PubChem CID3827854
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol
SMILESCCCOc1ccc(Cn2c(CCCO)nc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-2-14-24-17-11-9-16(10-12-17)15-22-19-7-4-3-6-18(19)21-20(22)8-5-13-23/h3-4,6-7,9-12,23H,2,5,8,13-15H2,1H3
InChIKeyWOLFDSMVWIQLOT-UHFFFAOYSA-N
XLogP3.80
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2945925
3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 648297
3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3160745
2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole
CID 23963358
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol
CID 82149283
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
methyl 2-[2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenoxy]ethyl]cyclohexane-1-carboxylate
CID 67768782
1-benzyl-2-propylbenzimidazole
CID 764560

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol (CID 3827854) is 3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol is CCCOc1ccc(Cn2c(CCCO)nc3ccccc32)cc1.
What is the InChIKey of 3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is WOLFDSMVWIQLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-14-24-17-11-9-16(10-12-17)15-22-19-7-4-3-6-18(19)21-20(22)8-5-13-23/h3-4,6-7,9-12,23H,2,5,8,13-15H2,1H3.
What are the key properties of 3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol?
3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol has a molecular weight of 324.42 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 3827854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).