(4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol

C18H20N2O2 — CID 626543

IUPAC(4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c(C(O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)13-8-10-14(22-2)11-9-13/h4-11,17,21H,3,12H2,1-2H3
InChIKeyBJXLORKMCAZXRI-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.54
Rot. Bonds5

About (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol

(4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol (PubChem CID 626543) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
PubChem CID626543
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c(C(O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)13-8-10-14(22-2)11-9-13/h4-11,17,21H,3,12H2,1-2H3
InChIKeyBJXLORKMCAZXRI-UHFFFAOYSA-N
XLogP3.54
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Etodesnitazene
CID 149797386
Metonitazene
CID 53316366
Metodesnitazene
CID 26412
N,N-Diethyl-2-((4-(1-methylethoxy)phenyl)methyl)-5-nitro-1H-benzimidazole-1-ethanamine
CID 145721979
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
Imoxiterol
CID 65665
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
1-{2-[(2-isopropyl-5-methylcyclohexyl)oxy]-2-oxoethyl}-2-(4-methoxyphenyl)-3-methyl-1H-3,1-benzimidazol-3-ium chloride
CID 2834416
5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole
CID 5329338
2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
CID 682797
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The IUPAC name of (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol (CID 626543) is (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The canonical SMILES for (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol is CCCn1c(C(O)c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The InChIKey is BJXLORKMCAZXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)13-8-10-14(22-2)11-9-13/h4-11,17,21H,3,12H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
(4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol has a molecular weight of 296.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 626543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).