2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol

C12H16N2O2 — CID 81431992

IUPAC2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol
SMILESCOCC(C)Cc1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C12H16N2O2/c1-8(7-16-2)5-12-13-10-4-3-9(15)6-11(10)14-12/h3-4,6,8,15H,5,7H2,1-2H3,(H,13,14)
InChIKeyACXVYHWHHHJFMJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.09
Rot. Bonds4

About 2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol

2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol (PubChem CID 81431992) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol
PubChem CID81431992
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol
SMILESCOCC(C)Cc1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C12H16N2O2/c1-8(7-16-2)5-12-13-10-4-3-9(15)6-11(10)14-12/h3-4,6,8,15H,5,7H2,1-2H3,(H,13,14)
InChIKeyACXVYHWHHHJFMJ-UHFFFAOYSA-N
XLogP2.09
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol
CID 81431647
6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
CID 114875306
4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole
CID 81463285
2-(2-amino-1-methoxyethyl)-3H-benzimidazol-5-ol
CID 106108763
4-(1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 12789249
2-[(1S)-1-aminoethyl]-3H-benzimidazol-5-ol
CID 69314900
2-pentan-2-yl-3H-benzimidazol-5-ol
CID 81431667
2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol
CID 81431671
2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol
CID 81432291
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207
1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one
CID 81431906
2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol
CID 84617418

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol (CID 81431992) is 2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol is COCC(C)Cc1nc2ccc(O)cc2[nH]1.
What is the InChIKey of 2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol?
The InChIKey is ACXVYHWHHHJFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(7-16-2)5-12-13-10-4-3-9(15)6-11(10)14-12/h3-4,6,8,15H,5,7H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol?
2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol has a molecular weight of 220.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81431992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).