ethane;4-methyl-1H-benzimidazol-5-ol

C10H14N2O — CID 178031880

IUPACethane;4-methyl-1H-benzimidazol-5-ol
SMILESCC.Cc1c(O)ccc2[nH]cnc12
InChIInChI=1S/C8H8N2O.C2H6/c1-5-7(11)3-2-6-8(5)10-4-9-6;1-2/h2-4,11H,1H3,(H,9,10);1-2H3
InChIKeyXQIDCZGXOSHQIE-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.60
Rot. Bonds

About ethane;4-methyl-1H-benzimidazol-5-ol

ethane;4-methyl-1H-benzimidazol-5-ol (PubChem CID 178031880) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is ethane;4-methyl-1H-benzimidazol-5-ol.

Molecular Properties

Compound Nameethane;4-methyl-1H-benzimidazol-5-ol
PubChem CID178031880
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Nameethane;4-methyl-1H-benzimidazol-5-ol
SMILESCC.Cc1c(O)ccc2[nH]cnc12
InChIInChI=1S/C8H8N2O.C2H6/c1-5-7(11)3-2-6-8(5)10-4-9-6;1-2/h2-4,11H,1H3,(H,9,10);1-2H3
InChIKeyXQIDCZGXOSHQIE-UHFFFAOYSA-N
XLogP2.60
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-1H-benzimidazol-5-ol
CID 131027126
1H-benzimidazol-4-ol;hydrobromide
CID 23367367
7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole
CID 12549746
4-ethyl-5-methyl-1H-benzimidazole
CID 130065712
4-methoxy-5-methyl-1H-benzimidazole
CID 91306611
2-(1H-benzimidazol-4-yl)propan-2-ol
CID 117277327
4-methyl-1H-imidazo[4,5-c]pyridine;molecular hydrogen
CID 176999050
4,6-dimethyl-1H-benzimidazol-5-amine
CID 18400127
4-chloro-1H-benzimidazole-5-carboxamide
CID 130877031
methyl 4-amino-1H-benzimidazole-5-carboxylate
CID 131010029
4-fluoro-5-methylsulfanyl-1H-benzimidazole
CID 131073113
7-methylsulfanyl-1H-benzimidazol-4-ol
CID 130770663

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1H-benzimidazol-5-ol?
The IUPAC name of ethane;4-methyl-1H-benzimidazol-5-ol (CID 178031880) is ethane;4-methyl-1H-benzimidazol-5-ol.
What is the SMILES notation for ethane;4-methyl-1H-benzimidazol-5-ol?
The canonical SMILES for ethane;4-methyl-1H-benzimidazol-5-ol is CC.Cc1c(O)ccc2[nH]cnc12.
What is the InChIKey of ethane;4-methyl-1H-benzimidazol-5-ol?
The InChIKey is XQIDCZGXOSHQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.C2H6/c1-5-7(11)3-2-6-8(5)10-4-9-6;1-2/h2-4,11H,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;4-methyl-1H-benzimidazol-5-ol?
ethane;4-methyl-1H-benzimidazol-5-ol has a molecular weight of 178.23 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1H-benzimidazol-5-ol is sourced from PubChem (CID 178031880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).