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

C18H20N2O2 — CID 660366

IUPAC3-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol
SMILESCOc1ccccc1Cn1c(CCCO)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-22-17-10-5-2-7-14(17)13-20-16-9-4-3-8-15(16)19-18(20)11-6-12-21/h2-5,7-10,21H,6,11-13H2,1H3
InChIKeyVRQGKKGXMAJGIG-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.02
Rot. Bonds6

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

3-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 660366) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol
PubChem CID660366
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol
SMILESCOc1ccccc1Cn1c(CCCO)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-22-17-10-5-2-7-14(17)13-20-16-9-4-3-8-15(16)19-18(20)11-6-12-21/h2-5,7-10,21H,6,11-13H2,1H3
InChIKeyVRQGKKGXMAJGIG-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Coumarin 30
CID 100335
Etodesnitazene
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Metonitazene
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2-(2-methoxyphenyl)-1H-benzimidazole
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1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
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3-(1-Methylbenzimidazol-2-yl)chromen-2-one
CID 951231
4-methyl-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
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1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
5-methoxy-6-methyl-1-phenyl-1H-1,3-benzodiazole
CID 5328528
5-Substituted 1-Phenylbenzimidazole 43
CID 5328533

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol (CID 660366) is 3-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol is COc1ccccc1Cn1c(CCCO)nc2ccccc21.
What is the InChIKey of 3-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is VRQGKKGXMAJGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-17-10-5-2-7-14(17)13-20-16-9-4-3-8-15(16)19-18(20)11-6-12-21/h2-5,7-10,21H,6,11-13H2,1H3.
What are the key properties of 3-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol?
3-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol has a molecular weight of 296.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 660366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).