2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol

C11H12N2O — CID 66978175

IUPAC2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol
SMILESCc1cc(O)cc2[nH]c(C3CC3)nc12
InChIInChI=1S/C11H12N2O/c1-6-4-8(14)5-9-10(6)13-11(12-9)7-2-3-7/h4-5,7,14H,2-3H2,1H3,(H,12,13)
InChIKeyAQPWSVNTTVPCAG-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.45
Rot. Bonds1

About 2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol

2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol (PubChem CID 66978175) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol
PubChem CID66978175
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol
SMILESCc1cc(O)cc2[nH]c(C3CC3)nc12
InChIInChI=1S/C11H12N2O/c1-6-4-8(14)5-9-10(6)13-11(12-9)7-2-3-7/h4-5,7,14H,2-3H2,1H3,(H,12,13)
InChIKeyAQPWSVNTTVPCAG-UHFFFAOYSA-N
XLogP2.45
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol?
The IUPAC name of 2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol (CID 66978175) is 2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol?
The canonical SMILES for 2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol is Cc1cc(O)cc2[nH]c(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol?
The InChIKey is AQPWSVNTTVPCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-6-4-8(14)5-9-10(6)13-11(12-9)7-2-3-7/h4-5,7,14H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol?
2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol has a molecular weight of 188.23 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol is sourced from PubChem (CID 66978175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).