2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide

C20H15N3O3 — CID 11371378

IUPAC2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4cccc(O)c4)cc3)[nH]c2c1
InChIInChI=1S/C20H15N3O3/c21-19(25)13-6-9-17-18(10-13)23-20(22-17)12-4-7-15(8-5-12)26-16-3-1-2-14(24)11-16/h1-11,24H,(H2,21,25)(H,22,23)
InChIKeyPMCFOCQQFLSWEU-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.83
Rot. Bonds4

About 2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11371378) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11371378
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4cccc(O)c4)cc3)[nH]c2c1
InChIInChI=1S/C20H15N3O3/c21-19(25)13-6-9-17-18(10-13)23-20(22-17)12-4-7-15(8-5-12)26-16-3-1-2-14(24)11-16/h1-11,24H,(H2,21,25)(H,22,23)
InChIKeyPMCFOCQQFLSWEU-UHFFFAOYSA-N
XLogP3.83
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 11371378) is 2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(Oc4cccc(O)c4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is PMCFOCQQFLSWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c21-19(25)13-6-9-17-18(10-13)23-20(22-17)12-4-7-15(8-5-12)26-16-3-1-2-14(24)11-16/h1-11,24H,(H2,21,25)(H,22,23).
What are the key properties of 2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11371378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).