2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide

C20H15N3O2S — CID 10133199

IUPAC2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Sc4ccc(O)cc4)cc3)[nH]c2c1
InChIInChI=1S/C20H15N3O2S/c21-19(25)13-3-10-17-18(11-13)23-20(22-17)12-1-6-15(7-2-12)26-16-8-4-14(24)5-9-16/h1-11,24H,(H2,21,25)(H,22,23)
InChIKeyAYVQDEPKWVWSGO-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.19
Rot. Bonds4

About 2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide

2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10133199) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10133199
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Sc4ccc(O)cc4)cc3)[nH]c2c1
InChIInChI=1S/C20H15N3O2S/c21-19(25)13-3-10-17-18(11-13)23-20(22-17)12-1-6-15(7-2-12)26-16-8-4-14(24)5-9-16/h1-11,24H,(H2,21,25)(H,22,23)
InChIKeyAYVQDEPKWVWSGO-UHFFFAOYSA-N
XLogP4.19
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide
CID 135546482
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-methyl-1H-benzimidazole-6-carbohydrazide
CID 135509001
2-(3-Hydroxy-phenyl)-1H-benzoimidazole-4-carboxylic acid amide
CID 10634624
(2S)-2-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 66552719
2-[4-[[5-cyano-6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-yl]sulfanyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 145957907
N'-[(E)-(4-hydroxyphenyl)methylidene]-2-methyl-1H-benzimidazole-6-carbohydrazide
CID 135509000
2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide
CID 9947743
2-[4-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]-3H-benzimidazole-5-carboxamide
CID 10159694
2-[4-(3,4-dimethoxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide
CID 10201295
2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 11163899
2-[4-(4-methoxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide
CID 58961523
2-[4-(3-methoxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide
CID 58961525

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide (CID 10133199) is 2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(Sc4ccc(O)cc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is AYVQDEPKWVWSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c21-19(25)13-3-10-17-18(11-13)23-20(22-17)12-1-6-15(7-2-12)26-16-8-4-14(24)5-9-16/h1-11,24H,(H2,21,25)(H,22,23).
What are the key properties of 2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10133199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).