2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol

C15H18N2O — CID 153346157

IUPAC2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol
SMILESCc1nc2ccc(C(C)(C)O)cc2n1C12CC1C2
InChIInChI=1S/C15H18N2O/c1-9-16-12-5-4-10(14(2,3)18)6-13(12)17(9)15-7-11(15)8-15/h4-6,11,18H,7-8H2,1-3H3
InChIKeyHHNAJKDPDUPOCU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.69
Rot. Bonds2

About 2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol

2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol (PubChem CID 153346157) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol
PubChem CID153346157
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol
SMILESCc1nc2ccc(C(C)(C)O)cc2n1C12CC1C2
InChIInChI=1S/C15H18N2O/c1-9-16-12-5-4-10(14(2,3)18)6-13(12)17(9)15-7-11(15)8-15/h4-6,11,18H,7-8H2,1-3H3
InChIKeyHHNAJKDPDUPOCU-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol (CID 153346157) is 2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol is Cc1nc2ccc(C(C)(C)O)cc2n1C12CC1C2.
What is the InChIKey of 2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol?
The InChIKey is HHNAJKDPDUPOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-16-12-5-4-10(14(2,3)18)6-13(12)17(9)15-7-11(15)8-15/h4-6,11,18H,7-8H2,1-3H3.
What are the key properties of 2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol?
2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol is sourced from PubChem (CID 153346157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).