2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid

C25H24N2O3 — CID 67921406

IUPAC2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCc1nc2c(OC)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C25H24N2O3/c1-3-7-23-26-24-21(10-6-11-22(24)30-2)27(23)16-17-12-14-18(15-13-17)19-8-4-5-9-20(19)25(28)29/h4-6,8-15H,3,7,16H2,1-2H3,(H,28,29)
InChIKeyXRNAOAWRWJLMGK-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.41
Rot. Bonds7

About 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid

2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid (PubChem CID 67921406) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
PubChem CID67921406
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCc1nc2c(OC)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C25H24N2O3/c1-3-7-23-26-24-21(10-6-11-22(24)30-2)27(23)16-17-12-14-18(15-13-17)19-8-4-5-9-20(19)25(28)29/h4-6,8-15H,3,7,16H2,1-2H3,(H,28,29)
InChIKeyXRNAOAWRWJLMGK-UHFFFAOYSA-N
XLogP5.41
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-((6-((3,5-Dimethylpyridin-2-yl)oxy)-1-methyl-1H-benzo[d]imidazol-2-yl)methoxy)benzoic acid
CID 46908905
Pad2-IN-2
CID 134580796
3-[[6-(2,6-Dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
CID 137552744
3-[[6-(2,6-Dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
CID 137552745
2-(4-methoxyphenylamino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxylic acid
CID 25164463
4-(4-{3-[2-Phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-1-phenyl-butan-1-one
CID 44372383
3-(4-{3-[2-Phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-1-phenyl-propan-1-one
CID 44372384
1-(2,5-dimethoxyphenyl)-1H-benzimidazole-5-carboxylic acid
CID 3239142
2-[4-(2-Butylbenzimidazol-1-yl)methylphenyl]benzoic acid
CID 4110026
1-(3-methoxyphenyl)-2-methyl-1H-benzimidazole-5-carboxylic acid
CID 4516609
2-[4-(Biphenyl-2-ylmethoxy)-phenyl]-1-cyclohexyl-1H-benzoimidazole-5-carboxylic acid
CID 10141859
(11E)-11-[2-(4,6-dimethoxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 10456019

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid (CID 67921406) is 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid is CCCc1nc2c(OC)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
The InChIKey is XRNAOAWRWJLMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-3-7-23-26-24-21(10-6-11-22(24)30-2)27(23)16-17-12-14-18(15-13-17)19-8-4-5-9-20(19)25(28)29/h4-6,8-15H,3,7,16H2,1-2H3,(H,28,29).
What are the key properties of 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid has a molecular weight of 400.48 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid is sourced from PubChem (CID 67921406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).