1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol

C18H26N2O2 — CID 2876957

IUPAC1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
SMILESCc1cc2ncn(CC(O)COC3CCCCC3)c2cc1C
InChIInChI=1S/C18H26N2O2/c1-13-8-17-18(9-14(13)2)20(12-19-17)10-15(21)11-22-16-6-4-3-5-7-16/h8-9,12,15-16,21H,3-7,10-11H2,1-2H3
InChIKeyFGQLMGSDAIOXTR-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.36
Rot. Bonds5

About 1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol

1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol (PubChem CID 2876957) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
PubChem CID2876957
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
SMILESCc1cc2ncn(CC(O)COC3CCCCC3)c2cc1C
InChIInChI=1S/C18H26N2O2/c1-13-8-17-18(9-14(13)2)20(12-19-17)10-15(21)11-22-16-6-4-3-5-7-16/h8-9,12,15-16,21H,3-7,10-11H2,1-2H3
InChIKeyFGQLMGSDAIOXTR-UHFFFAOYSA-N
XLogP3.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 440780
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CID 3161922
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CID 645134
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CID 2885588
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CID 2130268
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CID 2876706
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CID 3147348
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol (CID 2876957) is 1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol is Cc1cc2ncn(CC(O)COC3CCCCC3)c2cc1C.
What is the InChIKey of 1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is FGQLMGSDAIOXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-8-17-18(9-14(13)2)20(12-19-17)10-15(21)11-22-16-6-4-3-5-7-16/h8-9,12,15-16,21H,3-7,10-11H2,1-2H3.
What are the key properties of 1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 302.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 2876957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).