2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide

C20H16N4O2 — CID 11473402

IUPAC2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(O)c4ccncc4)cc3)[nH]c2c1
InChIInChI=1S/C20H16N4O2/c21-19(26)15-5-6-16-17(11-15)24-20(23-16)14-3-1-12(2-4-14)18(25)13-7-9-22-10-8-13/h1-11,18,25H,(H2,21,26)(H,23,24)
InChIKeyLKGBNFMVNPTBHB-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.81
Rot. Bonds4

About 2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11473402) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11473402
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(O)c4ccncc4)cc3)[nH]c2c1
InChIInChI=1S/C20H16N4O2/c21-19(26)15-5-6-16-17(11-15)24-20(23-16)14-3-1-12(2-4-14)18(25)13-7-9-22-10-8-13/h1-11,18,25H,(H2,21,26)(H,23,24)
InChIKeyLKGBNFMVNPTBHB-UHFFFAOYSA-N
XLogP2.81
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 11473402) is 2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(C(O)c4ccncc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is LKGBNFMVNPTBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c21-19(26)15-5-6-16-17(11-15)24-20(23-16)14-3-1-12(2-4-14)18(25)13-7-9-22-10-8-13/h1-11,18,25H,(H2,21,26)(H,23,24).
What are the key properties of 2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11473402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).