7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol

C14H13N3O — CID 23052399

IUPAC7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol
SMILESCc1ccc(O)c2[nH]c(Cc3cccnc3)nc12
InChIInChI=1S/C14H13N3O/c1-9-4-5-11(18)14-13(9)16-12(17-14)7-10-3-2-6-15-8-10/h2-6,8,18H,7H2,1H3,(H,16,17)
InChIKeyDHVGTFULKJGATP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.56
Rot. Bonds2

About 7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol

7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol (PubChem CID 23052399) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol.

Molecular Properties

Compound Name7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol
PubChem CID23052399
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol
SMILESCc1ccc(O)c2[nH]c(Cc3cccnc3)nc12
InChIInChI=1S/C14H13N3O/c1-9-4-5-11(18)14-13(9)16-12(17-14)7-10-3-2-6-15-8-10/h2-6,8,18H,7H2,1H3,(H,16,17)
InChIKeyDHVGTFULKJGATP-UHFFFAOYSA-N
XLogP2.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(pyridin-3-ylmethyl)pyridine
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3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
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3-(1H-1,2,4-triazol-5-ylmethyl)pyridine
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pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium
CID 6946563
2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine
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2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
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CID 175091377

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol?
The IUPAC name of 7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol (CID 23052399) is 7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol.
What is the SMILES notation for 7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol?
The canonical SMILES for 7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol is Cc1ccc(O)c2[nH]c(Cc3cccnc3)nc12.
What is the InChIKey of 7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol?
The InChIKey is DHVGTFULKJGATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-4-5-11(18)14-13(9)16-12(17-14)7-10-3-2-6-15-8-10/h2-6,8,18H,7H2,1H3,(H,16,17).
What are the key properties of 7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol?
7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol has a molecular weight of 239.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol is sourced from PubChem (CID 23052399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).