3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid

C15H18N2O2 — CID 113485834

IUPAC3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2cccc(C(=O)O)c2n1C1(C)CC1
InChIInChI=1S/C15H18N2O2/c1-3-5-12-16-11-7-4-6-10(14(18)19)13(11)17(12)15(2)8-9-15/h4,6-7H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeyKRECQKUKQCFLGM-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.20
Rot. Bonds4

About 3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid

3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid (PubChem CID 113485834) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid
PubChem CID113485834
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2cccc(C(=O)O)c2n1C1(C)CC1
InChIInChI=1S/C15H18N2O2/c1-3-5-12-16-11-7-4-6-10(14(18)19)13(11)17(12)15(2)8-9-15/h4,6-7H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeyKRECQKUKQCFLGM-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylmethyl)-2-propylbenzimidazole-4-carboxylic acid
CID 112577070
3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid
CID 112577260
3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid
CID 115932628
3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid
CID 115932845
3-(4-hydroxybutyl)-2-propylbenzimidazole-4-carboxylic acid
CID 106842855
3-(1-hydroxy-3-methoxypropan-2-yl)-2-propylbenzimidazole-4-carboxylic acid
CID 106188849
3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252400
2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid
CID 104966802
3-(4-bromophenyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115932648
3-(3-ethoxy-3-oxopropyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115933242
2-ethyl-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzimidazole-4-carboxylic acid
CID 107866416
2-ethyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid
CID 115933093

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid?
The IUPAC name of 3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid (CID 113485834) is 3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid is CCCc1nc2cccc(C(=O)O)c2n1C1(C)CC1.
What is the InChIKey of 3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid?
The InChIKey is KRECQKUKQCFLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-5-12-16-11-7-4-6-10(14(18)19)13(11)17(12)15(2)8-9-15/h4,6-7H,3,5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid?
3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 113485834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).