2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid

C20H19N3O2 — CID 122702871

IUPAC2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid
SMILESCCn1c(-c2nc3c(C)cc(C(=O)O)cc3n2C)cc2ccccc21
InChIInChI=1S/C20H19N3O2/c1-4-23-15-8-6-5-7-13(15)10-17(23)19-21-18-12(2)9-14(20(24)25)11-16(18)22(19)3/h5-11H,4H2,1-3H3,(H,24,25)
InChIKeyVBFVWYIBCBXYIM-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.22
Rot. Bonds3

About 2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid

2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid (PubChem CID 122702871) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid
PubChem CID122702871
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid
SMILESCCn1c(-c2nc3c(C)cc(C(=O)O)cc3n2C)cc2ccccc21
InChIInChI=1S/C20H19N3O2/c1-4-23-15-8-6-5-7-13(15)10-17(23)19-21-18-12(2)9-14(20(24)25)11-16(18)22(19)3/h5-11H,4H2,1-3H3,(H,24,25)
InChIKeyVBFVWYIBCBXYIM-UHFFFAOYSA-N
XLogP4.22
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9-ethylcarbazol-3-yl)-7-methyl-3-prop-2-enylbenzimidazole-5-carboxylic acid
CID 90202381
1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide
CID 122703075
2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carboxylic acid
CID 86340186
1-ethyl-2-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-c]pyridine
CID 141448929
[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 122703090
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817
[1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-4-methoxypiperidin-3-yl]carbamic acid
CID 135355644
tert-butyl N-[1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-4-hydroxypiperidin-3-yl]carbamate
CID 142741788
tert-butyl N-[1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-2-methylpiperidin-3-yl]carbamate
CID 175100624
2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole
CID 154002152
(3-amino-4-ethoxypiperidin-1-yl)-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 122703052
[1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703087

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid (CID 122702871) is 2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid is CCn1c(-c2nc3c(C)cc(C(=O)O)cc3n2C)cc2ccccc21.
What is the InChIKey of 2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid?
The InChIKey is VBFVWYIBCBXYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-4-23-15-8-6-5-7-13(15)10-17(23)19-21-18-12(2)9-14(20(24)25)11-16(18)22(19)3/h5-11H,4H2,1-3H3,(H,24,25).
What are the key properties of 2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid?
2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 122702871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).