(3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol

C19H22N2O3 — CID 2835576

IUPAC(3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c(C(O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C19H22N2O3/c1-4-11-21-15-8-6-5-7-14(15)20-19(21)18(22)13-9-10-16(23-2)17(12-13)24-3/h5-10,12,18,22H,4,11H2,1-3H3
InChIKeyAMKXEOBKCZJISJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.55
Rot. Bonds6

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

(3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol (PubChem CID 2835576) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
PubChem CID2835576
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c(C(O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C19H22N2O3/c1-4-11-21-15-8-6-5-7-14(15)20-19(21)18(22)13-9-10-16(23-2)17(12-13)24-3/h5-10,12,18,22H,4,11H2,1-3H3
InChIKeyAMKXEOBKCZJISJ-UHFFFAOYSA-N
XLogP3.55
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol (CID 2835576) is (3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol is CCCn1c(C(O)c2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of (3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The InChIKey is AMKXEOBKCZJISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-11-21-15-8-6-5-7-14(15)20-19(21)18(22)13-9-10-16(23-2)17(12-13)24-3/h5-10,12,18,22H,4,11H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
(3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol has a molecular weight of 326.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 2835576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).