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

C22H19N3O3 — CID 11303304

IUPAC2-[4-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(C(O)c2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1
InChIInChI=1S/C22H19N3O3/c1-28-17-9-6-14(7-10-17)20(26)13-2-4-15(5-3-13)22-24-18-11-8-16(21(23)27)12-19(18)25-22/h2-12,20,26H,1H3,(H2,23,27)(H,24,25)
InChIKeyVDBADOQXXPFKBM-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.42
Rot. Bonds5

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

2-[4-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11303304) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[4-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11303304
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-[4-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(C(O)c2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1
InChIInChI=1S/C22H19N3O3/c1-28-17-9-6-14(7-10-17)20(26)13-2-4-15(5-3-13)22-24-18-11-8-16(21(23)27)12-19(18)25-22/h2-12,20,26H,1H3,(H2,23,27)(H,24,25)
InChIKeyVDBADOQXXPFKBM-UHFFFAOYSA-N
XLogP3.42
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 11303304) is 2-[4-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide is COc1ccc(C(O)c2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1.
What is the InChIKey of 2-[4-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is VDBADOQXXPFKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-28-17-9-6-14(7-10-17)20(26)13-2-4-15(5-3-13)22-24-18-11-8-16(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-(4-methoxyphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11303304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).