3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol

C16H24N2O3 — CID 82149576

IUPAC3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
SMILESCOc1cc2nc(C(C)(C)C)n(CCCO)c2cc1OC
InChIInChI=1S/C16H24N2O3/c1-16(2,3)15-17-11-9-13(20-4)14(21-5)10-12(11)18(15)7-6-8-19/h9-10,19H,6-8H2,1-5H3
InChIKeySAEHSHOAUVRTEZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.73
Rot. Bonds5

About 3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol

3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol (PubChem CID 82149576) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
PubChem CID82149576
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
SMILESCOc1cc2nc(C(C)(C)C)n(CCCO)c2cc1OC
InChIInChI=1S/C16H24N2O3/c1-16(2,3)15-17-11-9-13(20-4)14(21-5)10-12(11)18(15)7-6-8-19/h9-10,19H,6-8H2,1-5H3
InChIKeySAEHSHOAUVRTEZ-UHFFFAOYSA-N
XLogP2.73
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol
CID 82149367
3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 82149581
2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol
CID 82149314
3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
CID 94756206
2-tert-butyl-5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazole
CID 46309807
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid
CID 82150037
3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine
CID 94748494
2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol
CID 82149384
5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine
CID 83003477
1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine
CID 82024996
3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 82359653

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol (CID 82149576) is 3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol is COc1cc2nc(C(C)(C)C)n(CCCO)c2cc1OC.
What is the InChIKey of 3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol?
The InChIKey is SAEHSHOAUVRTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)15-17-11-9-13(20-4)14(21-5)10-12(11)18(15)7-6-8-19/h9-10,19H,6-8H2,1-5H3.
What are the key properties of 3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol?
3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol has a molecular weight of 292.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 82149576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).