(1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol

C20H24N2O4 — CID 2881820

IUPAC(1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol
SMILESCCCn1c(C(O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H24N2O4/c1-5-10-22-15-9-7-6-8-14(15)21-20(22)18(23)13-11-16(24-2)19(26-4)17(12-13)25-3/h6-9,11-12,18,23H,5,10H2,1-4H3
InChIKeyLCYWYVAIMQEWMB-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.55
Rot. Bonds7

About (1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol

(1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 2881820) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol
PubChem CID2881820
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol
SMILESCCCn1c(C(O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H24N2O4/c1-5-10-22-15-9-7-6-8-14(15)21-20(22)18(23)13-11-16(24-2)19(26-4)17(12-13)25-3/h6-9,11-12,18,23H,5,10H2,1-4H3
InChIKeyLCYWYVAIMQEWMB-UHFFFAOYSA-N
XLogP3.55
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol (CID 2881820) is (1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol is CCCn1c(C(O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of (1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is LCYWYVAIMQEWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-10-22-15-9-7-6-8-14(15)21-20(22)18(23)13-11-16(24-2)19(26-4)17(12-13)25-3/h6-9,11-12,18,23H,5,10H2,1-4H3.
What are the key properties of (1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol?
(1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 356.42 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 2881820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).