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

C22H19N3O2 — CID 11439732

IUPAC2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccccc1C(O)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1
InChIInChI=1S/C22H19N3O2/c1-13-4-2-3-5-17(13)20(26)14-6-8-15(9-7-14)22-24-18-11-10-16(21(23)27)12-19(18)25-22/h2-12,20,26H,1H3,(H2,23,27)(H,24,25)
InChIKeyHWVDIKCLIDWHAO-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.72
Rot. Bonds4

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

2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11439732) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11439732
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccccc1C(O)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1
InChIInChI=1S/C22H19N3O2/c1-13-4-2-3-5-17(13)20(26)14-6-8-15(9-7-14)22-24-18-11-10-16(21(23)27)12-19(18)25-22/h2-12,20,26H,1H3,(H2,23,27)(H,24,25)
InChIKeyHWVDIKCLIDWHAO-UHFFFAOYSA-N
XLogP3.72
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 11439732) is 2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide is Cc1ccccc1C(O)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is HWVDIKCLIDWHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-13-4-2-3-5-17(13)20(26)14-6-8-15(9-7-14)22-24-18-11-10-16(21(23)27)12-19(18)25-22/h2-12,20,26H,1H3,(H2,23,27)(H,24,25).
What are the key properties of 2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11439732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).