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

C20H14ClN3O3 — CID 10134344

IUPAC2-[4-(4-chloro-3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)c(O)c4)cc3)[nH]c2c1
InChIInChI=1S/C20H14ClN3O3/c21-15-7-6-14(10-18(15)25)27-13-4-1-11(2-5-13)20-23-16-8-3-12(19(22)26)9-17(16)24-20/h1-10,25H,(H2,22,26)(H,23,24)
InChIKeyRQKQQACLXABERV-UHFFFAOYSA-N
MW379.80 g/mol
LogP4.48
Rot. Bonds4

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

2-[4-(4-chloro-3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10134344) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is 2-[4-(4-chloro-3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(4-chloro-3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10134344
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name2-[4-(4-chloro-3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)c(O)c4)cc3)[nH]c2c1
InChIInChI=1S/C20H14ClN3O3/c21-15-7-6-14(10-18(15)25)27-13-4-1-11(2-5-13)20-23-16-8-3-12(19(22)26)9-17(16)24-20/h1-10,25H,(H2,22,26)(H,23,24)
InChIKeyRQKQQACLXABERV-UHFFFAOYSA-N
XLogP4.48
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
2-(4-{[1-(4-Chlorobenzyl)piperidin-4-Yl]methoxy}phenyl)-1h-Benzimidazole-5-Carboxamide
CID 11518511
2-(4-(3-Hydroxyphenoxy)phenyl)-1h-Benzo[d]imidazole-5-Carboxamide
CID 11371378
2-(4-p-Tolyloxy-phenyl)-1H-benzoimidazole-5-carboxylic acid amide
CID 9902666
2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 9923564
2-[4-(4-Methoxy-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 9924991
2-[4-(4-Carbamoyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 9947651
3-[4-(5-Carbamoyl-1H-benzoimidazol-2-yl)-phenoxy]-benzoic acid
CID 10133911
2-(4-(4-chlorophenoxy)phenyl)-1H-benzo[d]imidazole-5-carboxylic acid
CID 10155700
2-[4-(3-Chloro-4-methyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10177646
2-[4-(4-Chloro-3-trifluoromethyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10181185
2-[4-(3,4-Dichloro-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10222496

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(4-chloro-3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 10134344) is 2-[4-(4-chloro-3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(4-chloro-3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(4-chloro-3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)c(O)c4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(4-chloro-3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is RQKQQACLXABERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c21-15-7-6-14(10-18(15)25)27-13-4-1-11(2-5-13)20-23-16-8-3-12(19(22)26)9-17(16)24-20/h1-10,25H,(H2,22,26)(H,23,24).
What are the key properties of 2-[4-(4-chloro-3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(4-chloro-3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 379.80 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-3-hydroxyphenoxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10134344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).