3-(1-benzylbenzimidazol-2-yl)propan-1-ol

C17H18N2O — CID 2872475

IUPAC3-(1-benzylbenzimidazol-2-yl)propan-1-ol
SMILESOCCCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C17H18N2O/c20-12-6-11-17-18-15-9-4-5-10-16(15)19(17)13-14-7-2-1-3-8-14/h1-5,7-10,20H,6,11-13H2
InChIKeyVKBZBWPMGQXAGU-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.01
Rot. Bonds5

About 3-(1-benzylbenzimidazol-2-yl)propan-1-ol

3-(1-benzylbenzimidazol-2-yl)propan-1-ol (PubChem CID 2872475) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(1-benzylbenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-benzylbenzimidazol-2-yl)propan-1-ol
PubChem CID2872475
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(1-benzylbenzimidazol-2-yl)propan-1-ol
SMILESOCCCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C17H18N2O/c20-12-6-11-17-18-15-9-4-5-10-16(15)19(17)13-14-7-2-1-3-8-14/h1-5,7-10,20H,6,11-13H2
InChIKeyVKBZBWPMGQXAGU-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylbenzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-(1-benzylbenzimidazol-2-yl)propan-1-ol (CID 2872475) is 3-(1-benzylbenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1-benzylbenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(1-benzylbenzimidazol-2-yl)propan-1-ol is OCCCc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 3-(1-benzylbenzimidazol-2-yl)propan-1-ol?
The InChIKey is VKBZBWPMGQXAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-12-6-11-17-18-15-9-4-5-10-16(15)19(17)13-14-7-2-1-3-8-14/h1-5,7-10,20H,6,11-13H2.
What are the key properties of 3-(1-benzylbenzimidazol-2-yl)propan-1-ol?
3-(1-benzylbenzimidazol-2-yl)propan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylbenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 2872475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).