7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid

C10H7BrF2N2O2 — CID 146458701

IUPAC7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(C(F)F)nc2c(Br)cc(C(=O)O)cc21
InChIInChI=1S/C10H7BrF2N2O2/c1-15-6-3-4(10(16)17)2-5(11)7(6)14-9(15)8(12)13/h2-3,8H,1H3,(H,16,17)
InChIKeyPLRBEKUMKPTLDL-UHFFFAOYSA-N
MW305.08 g/mol
LogP2.97
Rot. Bonds2

About 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid

7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid (PubChem CID 146458701) has the molecular formula C10H7BrF2N2O2 and a molecular weight of 305.08 g/mol. Its IUPAC name is 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid
PubChem CID146458701
Molecular FormulaC10H7BrF2N2O2
Molecular Weight305.08 g/mol
Exact Mass303.97
IUPAC Name7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(C(F)F)nc2c(Br)cc(C(=O)O)cc21
InChIInChI=1S/C10H7BrF2N2O2/c1-15-6-3-4(10(16)17)2-5(11)7(6)14-9(15)8(12)13/h2-3,8H,1H3,(H,16,17)
InChIKeyPLRBEKUMKPTLDL-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylate
CID 146458630
2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 118854402
azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone
CID 166179148
6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine
CID 178122032
3,5-dibromo-4-(methylamino)benzoic acid
CID 170560173
4-amino-3-bromo-1-methylindole-6-carboxylic acid
CID 84712282
7-bromo-1-methylbenzimidazole-5-carboxylic acid
CID 75487801
3-bromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]benzoic acid
CID 82802960
[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 136581636
1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83678824
2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62337121
7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 175811837

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid (CID 146458701) is 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid is Cn1c(C(F)F)nc2c(Br)cc(C(=O)O)cc21.
What is the InChIKey of 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid?
The InChIKey is PLRBEKUMKPTLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2O2/c1-15-6-3-4(10(16)17)2-5(11)7(6)14-9(15)8(12)13/h2-3,8H,1H3,(H,16,17).
What are the key properties of 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid?
7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid has a molecular weight of 305.08 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 146458701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).