1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol

C18H26N2O — CID 79755052

IUPAC1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
SMILESCCn1c(CC2(O)CCCC(C)C2C)nc2ccccc21
InChIInChI=1S/C18H26N2O/c1-4-20-16-10-6-5-9-15(16)19-17(20)12-18(21)11-7-8-13(2)14(18)3/h5-6,9-10,13-14,21H,4,7-8,11-12H2,1-3H3
InChIKeyZBVMKDNEDSOLMW-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.79
Rot. Bonds3

About 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol

1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol (PubChem CID 79755052) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
PubChem CID79755052
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
SMILESCCn1c(CC2(O)CCCC(C)C2C)nc2ccccc21
InChIInChI=1S/C18H26N2O/c1-4-20-16-10-6-5-9-15(16)19-17(20)12-18(21)11-7-8-13(2)14(18)3/h5-6,9-10,13-14,21H,4,7-8,11-12H2,1-3H3
InChIKeyZBVMKDNEDSOLMW-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylbenzimidazol-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663718
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79753321
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79755493
2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole
CID 116540367
3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823434
3-[(1-ethylbenzimidazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539036
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 79755494
1-benzyl-2,3-dimethylcyclohexan-1-ol
CID 64754174
2-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750335
1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 79753348
3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol
CID 114501819
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol (CID 79755052) is 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol is CCn1c(CC2(O)CCCC(C)C2C)nc2ccccc21.
What is the InChIKey of 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol?
The InChIKey is ZBVMKDNEDSOLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-20-16-10-6-5-9-15(16)19-17(20)12-18(21)11-7-8-13(2)14(18)3/h5-6,9-10,13-14,21H,4,7-8,11-12H2,1-3H3.
What are the key properties of 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol?
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol has a molecular weight of 286.42 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79755052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).