2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid

C14H16N2O2 — CID 114101514

IUPAC2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1CC1(C)CC1
InChIInChI=1S/C14H16N2O2/c1-9-15-12-10(13(17)18)4-3-5-11(12)16(9)8-14(2)6-7-14/h3-5H,6-8H2,1-2H3,(H,17,18)
InChIKeyFIVPFRNMEFZYKW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.84
Rot. Bonds3

About 2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid

2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid (PubChem CID 114101514) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid
PubChem CID114101514
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1CC1(C)CC1
InChIInChI=1S/C14H16N2O2/c1-9-15-12-10(13(17)18)4-3-5-11(12)16(9)8-14(2)6-7-14/h3-5H,6-8H2,1-2H3,(H,17,18)
InChIKeyFIVPFRNMEFZYKW-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzimidazole-4-carboxylic acid
CID 105419786
1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332313
1-(2-methoxyethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543015
1-[2-(dimethylamino)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115542757
2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 115542771
1-(4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543377
2-methyl-1-(5-methylhexyl)benzimidazole-4-carboxylic acid
CID 115543972
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543164
2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 107420058
2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543398
1-[(1-methylcyclobutyl)methyl]benzimidazole-4-carboxylic acid
CID 114109191
2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 106407505

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid (CID 114101514) is 2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid is Cc1nc2c(C(=O)O)cccc2n1CC1(C)CC1.
What is the InChIKey of 2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid?
The InChIKey is FIVPFRNMEFZYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-15-12-10(13(17)18)4-3-5-11(12)16(9)8-14(2)6-7-14/h3-5H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid?
2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 114101514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).