[5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol

C13H14ClN3O — CID 114920553

IUPAC[5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol
SMILESOCc1cc(-n2cnc3c2CCCC3)ncc1Cl
InChIInChI=1S/C13H14ClN3O/c14-10-6-15-13(5-9(10)7-18)17-8-16-11-3-1-2-4-12(11)17/h5-6,8,18H,1-4,7H2
InChIKeyZXVWUVHGFIOXRN-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.29
Rot. Bonds2

About [5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol

[5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol (PubChem CID 114920553) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is [5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol
PubChem CID114920553
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name[5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol
SMILESOCc1cc(-n2cnc3c2CCCC3)ncc1Cl
InChIInChI=1S/C13H14ClN3O/c14-10-6-15-13(5-9(10)7-18)17-8-16-11-3-1-2-4-12(11)17/h5-6,8,18H,1-4,7H2
InChIKeyZXVWUVHGFIOXRN-UHFFFAOYSA-N
XLogP2.29
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol (CID 114920553) is [5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol is OCc1cc(-n2cnc3c2CCCC3)ncc1Cl.
What is the InChIKey of [5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol?
The InChIKey is ZXVWUVHGFIOXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-10-6-15-13(5-9(10)7-18)17-8-16-11-3-1-2-4-12(11)17/h5-6,8,18H,1-4,7H2.
What are the key properties of [5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol?
[5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol has a molecular weight of 263.73 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 114920553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).