3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol

C20H19N5O — CID 165423369

IUPAC3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
SMILESOc1cccc(C2CN(Cc3nc4ccccc4[nH]3)Cc3[nH]cnc32)c1
InChIInChI=1S/C20H19N5O/c26-14-5-3-4-13(8-14)15-9-25(10-18-20(15)22-12-21-18)11-19-23-16-6-1-2-7-17(16)24-19/h1-8,12,15,26H,9-11H2,(H,21,22)(H,23,24)
InChIKeyGIBDGYZADLHBPA-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.14
Rot. Bonds3

About 3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol

3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol (PubChem CID 165423369) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol.

Molecular Properties

Compound Name3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
PubChem CID165423369
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
SMILESOc1cccc(C2CN(Cc3nc4ccccc4[nH]3)Cc3[nH]cnc32)c1
InChIInChI=1S/C20H19N5O/c26-14-5-3-4-13(8-14)15-9-25(10-18-20(15)22-12-21-18)11-19-23-16-6-1-2-7-17(16)24-19/h1-8,12,15,26H,9-11H2,(H,21,22)(H,23,24)
InChIKeyGIBDGYZADLHBPA-UHFFFAOYSA-N
XLogP3.14
TPSA80.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol with MolForge

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Related Compounds

[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone
CID 165419465
2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole
CID 165428527
1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone
CID 165419639
(2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165419028
(2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 165418782
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole
CID 115314474
1H-indol-2-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164695772
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol
CID 165470353
2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126891986
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
The IUPAC name of 3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol (CID 165423369) is 3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol.
What is the SMILES notation for 3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
The canonical SMILES for 3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol is Oc1cccc(C2CN(Cc3nc4ccccc4[nH]3)Cc3[nH]cnc32)c1.
What is the InChIKey of 3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
The InChIKey is GIBDGYZADLHBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-14-5-3-4-13(8-14)15-9-25(10-18-20(15)22-12-21-18)11-19-23-16-6-1-2-7-17(16)24-19/h1-8,12,15,26H,9-11H2,(H,21,22)(H,23,24).
What are the key properties of 3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol has a molecular weight of 345.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol is sourced from PubChem (CID 165423369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).