6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid

C12H14N2O2 — CID 84683704

IUPAC6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C12H14N2O2/c1-6(2)11-13-9-5-7(3)4-8(12(15)16)10(9)14-11/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKeySRJFMMMPXVJPRQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.69
Rot. Bonds2

About 6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid

6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid (PubChem CID 84683704) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid
PubChem CID84683704
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C12H14N2O2/c1-6(2)11-13-9-5-7(3)4-8(12(15)16)10(9)14-11/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKeySRJFMMMPXVJPRQ-UHFFFAOYSA-N
XLogP2.69
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-1H-benzimidazole-4-carboxylic acid
CID 58932987
2-ethynyl-6-methyl-1H-benzimidazole-4-carboxylic acid
CID 91601812
6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 91318855
2-hexa-2,4-dien-3-yl-6-methyl-1H-benzimidazole-4-carboxylic acid
CID 91304934
6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 103436169
6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 46946985
6-methyl-2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 46947380
2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole
CID 130051092
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid
CID 84635509
2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid
CID 3159719
2-[4-[4-(2-cyclopentyl-2-oxoethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
CID 58073914

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid (CID 84683704) is 6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid is Cc1cc(C(=O)O)c2nc(C(C)C)[nH]c2c1.
What is the InChIKey of 6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid?
The InChIKey is SRJFMMMPXVJPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-6(2)11-13-9-5-7(3)4-8(12(15)16)10(9)14-11/h4-6H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid?
6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 84683704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).