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

C18H20N2O2 — CID 3786297

IUPAC(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c(C(O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-3-12-20-15-10-6-5-9-14(15)19-18(20)17(21)13-8-4-7-11-16(13)22-2/h4-11,17,21H,3,12H2,1-2H3
InChIKeyQIEKOLCLJVSZDT-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.54
Rot. Bonds5

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

(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol (PubChem CID 3786297) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
PubChem CID3786297
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c(C(O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-3-12-20-15-10-6-5-9-14(15)19-18(20)17(21)13-8-4-7-11-16(13)22-2/h4-11,17,21H,3,12H2,1-2H3
InChIKeyQIEKOLCLJVSZDT-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

(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 762129
(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 738052
(R)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349779
(S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349776
[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995122
(2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 2870450
(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 914008
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 6998450
(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone
CID 711826
phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol
CID 16995165
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The IUPAC name of (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol (CID 3786297) is (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The canonical SMILES for (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol is CCCn1c(C(O)c2ccccc2OC)nc2ccccc21.
What is the InChIKey of (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The InChIKey is QIEKOLCLJVSZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-12-20-15-10-6-5-9-14(15)19-18(20)17(21)13-8-4-7-11-16(13)22-2/h4-11,17,21H,3,12H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
(2-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 (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 3786297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).