2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid

C16H22N2O3 — CID 82773871

IUPAC2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1C(COC)C(C)C
InChIInChI=1S/C16H22N2O3/c1-5-15-17-12-7-6-11(16(19)20)8-13(12)18(15)14(9-21-4)10(2)3/h6-8,10,14H,5,9H2,1-4H3,(H,19,20)
InChIKeyKGPSCPVPKBXEAL-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.14
Rot. Bonds6

About 2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid

2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid (PubChem CID 82773871) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid
PubChem CID82773871
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1C(COC)C(C)C
InChIInChI=1S/C16H22N2O3/c1-5-15-17-12-7-6-11(16(19)20)8-13(12)18(15)14(9-21-4)10(2)3/h6-8,10,14H,5,9H2,1-4H3,(H,19,20)
InChIKeyKGPSCPVPKBXEAL-UHFFFAOYSA-N
XLogP3.14
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methoxy-3-methylbutan-2-yl)benzotriazole-5-carboxylic acid
CID 82783938
2-ethyl-3-(2,3,3-trimethylbutyl)benzimidazole-5-carboxylic acid
CID 83142351
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid
CID 57260132
2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid
CID 82790543
2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid
CID 106162400
2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid
CID 82791085
2-ethyl-3-(3-methoxy-3-oxopropyl)benzimidazole-5-carboxylic acid
CID 82790769
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 106279134
3-(1-cyclopropylbutan-2-yl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82773276
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82770294

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid (CID 82773871) is 2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid is CCc1nc2ccc(C(=O)O)cc2n1C(COC)C(C)C.
What is the InChIKey of 2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid?
The InChIKey is KGPSCPVPKBXEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-15-17-12-7-6-11(16(19)20)8-13(12)18(15)14(9-21-4)10(2)3/h6-8,10,14H,5,9H2,1-4H3,(H,19,20).
What are the key properties of 2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid?
2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82773871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).