2-pentan-2-yl-3H-benzimidazol-5-ol

C12H16N2O — CID 81431667

IUPAC2-pentan-2-yl-3H-benzimidazol-5-ol
SMILESCCCC(C)c1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C12H16N2O/c1-3-4-8(2)12-13-10-6-5-9(15)7-11(10)14-12/h5-8,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyACLJASWQWQYACZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.17
Rot. Bonds3

About 2-pentan-2-yl-3H-benzimidazol-5-ol

2-pentan-2-yl-3H-benzimidazol-5-ol (PubChem CID 81431667) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-pentan-2-yl-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-pentan-2-yl-3H-benzimidazol-5-ol
PubChem CID81431667
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-pentan-2-yl-3H-benzimidazol-5-ol
SMILESCCCC(C)c1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C12H16N2O/c1-3-4-8(2)12-13-10-6-5-9(15)7-11(10)14-12/h5-8,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyACLJASWQWQYACZ-UHFFFAOYSA-N
XLogP3.17
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol
CID 81432291
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
2-[(1S)-1-aminoethyl]-3H-benzimidazol-5-ol
CID 69314900
2-(2-amino-1-methoxyethyl)-3H-benzimidazol-5-ol
CID 106108763
2-butan-2-yl-6-iodo-1H-benzimidazole
CID 176683377
2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol
CID 82336117
2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol
CID 167259464
2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol
CID 81432300
1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol
CID 155560387
2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol
CID 82336102
2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol
CID 84617418
2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821838

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-3H-benzimidazol-5-ol?
The IUPAC name of 2-pentan-2-yl-3H-benzimidazol-5-ol (CID 81431667) is 2-pentan-2-yl-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-pentan-2-yl-3H-benzimidazol-5-ol?
The canonical SMILES for 2-pentan-2-yl-3H-benzimidazol-5-ol is CCCC(C)c1nc2ccc(O)cc2[nH]1.
What is the InChIKey of 2-pentan-2-yl-3H-benzimidazol-5-ol?
The InChIKey is ACLJASWQWQYACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-4-8(2)12-13-10-6-5-9(15)7-11(10)14-12/h5-8,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-pentan-2-yl-3H-benzimidazol-5-ol?
2-pentan-2-yl-3H-benzimidazol-5-ol has a molecular weight of 204.27 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-3H-benzimidazol-5-ol is sourced from PubChem (CID 81431667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).