2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid

C18H20N2O2S — CID 82142130

IUPAC2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
SMILESCC(C)Cn1c(Cc2cccs2)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C18H20N2O2S/c1-12(2)11-20-16-6-5-13(9-18(21)22)8-15(16)19-17(20)10-14-4-3-7-23-14/h3-8,12H,9-11H2,1-2H3,(H,21,22)
InChIKeyYAUPSDSDMIBDNX-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.97
Rot. Bonds6

About 2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid

2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid (PubChem CID 82142130) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
PubChem CID82142130
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
SMILESCC(C)Cn1c(Cc2cccs2)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C18H20N2O2S/c1-12(2)11-20-16-6-5-13(9-18(21)22)8-15(16)19-17(20)10-14-4-3-7-23-14/h3-8,12H,9-11H2,1-2H3,(H,21,22)
InChIKeyYAUPSDSDMIBDNX-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-butyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
CID 82142170
1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65040473
4-methyl-2-[[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]pentanoic acid
CID 118427555
2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 82142121
2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid
CID 82142132
2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 94742956
2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid
CID 82142028
[1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65040104
2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid
CID 82142003
2-[[1-(2,4-dimethylpentan-3-yl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]acetic acid
CID 126515150
1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 86714429
2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid
CID 82142178

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid (CID 82142130) is 2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid is CC(C)Cn1c(Cc2cccs2)nc2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid?
The InChIKey is YAUPSDSDMIBDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12(2)11-20-16-6-5-13(9-18(21)22)8-15(16)19-17(20)10-14-4-3-7-23-14/h3-8,12H,9-11H2,1-2H3,(H,21,22).
What are the key properties of 2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid?
2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid has a molecular weight of 328.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid is sourced from PubChem (CID 82142130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).