2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid

C24H20N2O4 — CID 142995441

IUPAC2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid
SMILESCc1ccc(C(=O)c2nc3ccccc3n2-c2ccc(COCC(=O)O)cc2)cc1
InChIInChI=1S/C24H20N2O4/c1-16-6-10-18(11-7-16)23(29)24-25-20-4-2-3-5-21(20)26(24)19-12-8-17(9-13-19)14-30-15-22(27)28/h2-13H,14-15H2,1H3,(H,27,28)
InChIKeyJJSOUMHXANMFAE-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.17
Rot. Bonds7

About 2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid

2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid (PubChem CID 142995441) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid
PubChem CID142995441
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid
SMILESCc1ccc(C(=O)c2nc3ccccc3n2-c2ccc(COCC(=O)O)cc2)cc1
InChIInChI=1S/C24H20N2O4/c1-16-6-10-18(11-7-16)23(29)24-25-20-4-2-3-5-21(20)26(24)19-12-8-17(9-13-19)14-30-15-22(27)28/h2-13H,14-15H2,1H3,(H,27,28)
InChIKeyJJSOUMHXANMFAE-UHFFFAOYSA-N
XLogP4.17
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[2-methyl-3-(4-methylbenzoyl)indol-1-yl]phenyl]methoxy]acetic acid
CID 59430729
1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone
CID 118366528
(Z)-4-hydroxy-3-[1-(4-methylphenyl)benzimidazol-2-yl]pent-3-en-2-one
CID 177393111
methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate
CID 175536518
[1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone
CID 132570584
(1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone
CID 23116964
4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid
CID 57424060
2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid
CID 61329129
ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate
CID 54081017
(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole
CID 3756820
1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
CID 11715904

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid?
The IUPAC name of 2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid (CID 142995441) is 2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid.
What is the SMILES notation for 2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid?
The canonical SMILES for 2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid is Cc1ccc(C(=O)c2nc3ccccc3n2-c2ccc(COCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid?
The InChIKey is JJSOUMHXANMFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-16-6-10-18(11-7-16)23(29)24-25-20-4-2-3-5-21(20)26(24)19-12-8-17(9-13-19)14-30-15-22(27)28/h2-13H,14-15H2,1H3,(H,27,28).
What are the key properties of 2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid?
2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid has a molecular weight of 400.43 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid is sourced from PubChem (CID 142995441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).