3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol

C10H16N2O — CID 24884396

IUPAC3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol
SMILESOCCCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C10H16N2O/c13-7-3-6-10-11-8-4-1-2-5-9(8)12-10/h13H,1-7H2,(H,11,12)
InChIKeyJSBVMJABACOZSC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.21
Rot. Bonds3

About 3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol

3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol (PubChem CID 24884396) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol
PubChem CID24884396
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol
SMILESOCCCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C10H16N2O/c13-7-3-6-10-11-8-4-1-2-5-9(8)12-10/h13H,1-7H2,(H,11,12)
InChIKeyJSBVMJABACOZSC-UHFFFAOYSA-N
XLogP1.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol (CID 24884396) is 3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol is OCCCc1nc2c([nH]1)CCCC2.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol?
The InChIKey is JSBVMJABACOZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-7-3-6-10-11-8-4-1-2-5-9(8)12-10/h13H,1-7H2,(H,11,12).
What are the key properties of 3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol?
3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 24884396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).