5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid

C22H16ClN3O4 — CID 155004086

IUPAC5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid
SMILESCOc1ccc2nc(-c3cccc(Cl)c3-c3ccc(C(N)=O)cc3C(=O)O)[nH]c2c1
InChIInChI=1S/C22H16ClN3O4/c1-30-12-6-8-17-18(10-12)26-21(25-17)14-3-2-4-16(23)19(14)13-7-5-11(20(24)27)9-15(13)22(28)29/h2-10H,1H3,(H2,24,27)(H,25,26)(H,28,29)
InChIKeyRWRYVYBEETZPIP-UHFFFAOYSA-N
MW421.84 g/mol
LogP4.36
Rot. Bonds5

About 5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid

5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid (PubChem CID 155004086) has the molecular formula C22H16ClN3O4 and a molecular weight of 421.84 g/mol. Its IUPAC name is 5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid.

Molecular Properties

Compound Name5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid
PubChem CID155004086
Molecular FormulaC22H16ClN3O4
Molecular Weight421.84 g/mol
Exact Mass421.08
IUPAC Name5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid
SMILESCOc1ccc2nc(-c3cccc(Cl)c3-c3ccc(C(N)=O)cc3C(=O)O)[nH]c2c1
InChIInChI=1S/C22H16ClN3O4/c1-30-12-6-8-17-18(10-12)26-21(25-17)14-3-2-4-16(23)19(14)13-7-5-11(20(24)27)9-15(13)22(28)29/h2-10H,1H3,(H2,24,27)(H,25,26)(H,28,29)
InChIKeyRWRYVYBEETZPIP-UHFFFAOYSA-N
XLogP4.36
TPSA118.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-carbamoyl-2-[5-chloro-2-(6-methoxycarbonyl-1H-benzimidazol-2-yl)phenyl]benzoic acid
CID 155004174
2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 107049937
2-[2-chloro-6-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(3-methylbutanoyl)benzoic acid
CID 161452426
2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370448
2-[2-chloro-6-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)phenyl]-5-[(3-methoxy-3-oxopropyl)carbamoyl]benzoic acid
CID 154603394
2-[2-chloro-6-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(3-methylbutylcarbamoyl)benzoic acid
CID 154603339
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
2-[2-chloro-6-(6-hydroxy-1H-benzimidazol-2-yl)phenyl]-5-[(3S)-3-phenylhexanoyl]benzoic acid
CID 159768577
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 10113332
N-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]acetamide
CID 18984570
2-[2-chloro-6-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)phenyl]-5-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]carbamoyl]benzoic acid
CID 154995914

Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid?
The IUPAC name of 5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid (CID 155004086) is 5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid.
What is the SMILES notation for 5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid?
The canonical SMILES for 5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid is COc1ccc2nc(-c3cccc(Cl)c3-c3ccc(C(N)=O)cc3C(=O)O)[nH]c2c1.
What is the InChIKey of 5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid?
The InChIKey is RWRYVYBEETZPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O4/c1-30-12-6-8-17-18(10-12)26-21(25-17)14-3-2-4-16(23)19(14)13-7-5-11(20(24)27)9-15(13)22(28)29/h2-10H,1H3,(H2,24,27)(H,25,26)(H,28,29).
What are the key properties of 5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid?
5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid has a molecular weight of 421.84 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid is sourced from PubChem (CID 155004086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).