1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid

C15H20N2O2 — CID 43322844

IUPAC1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCCCCn1c(C(C)C)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H20N2O2/c1-4-5-8-17-13-7-6-11(15(18)19)9-12(13)16-14(17)10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyBINWHLIEXDRVME-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.66
Rot. Bonds5

About 1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid

1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid (PubChem CID 43322844) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
PubChem CID43322844
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCCCCn1c(C(C)C)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H20N2O2/c1-4-5-8-17-13-7-6-11(15(18)19)9-12(13)16-14(17)10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyBINWHLIEXDRVME-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxypropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322914
2-propan-2-yl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid
CID 63227149
1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322894
2-amino-1-butylbenzimidazole-5-carboxylic acid
CID 91671806
2-propan-2-yl-1-(2-sulfamoylethyl)benzimidazole-5-carboxylic acid
CID 43552592
2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid
CID 46308149
1-(4-hydroxy-2-methylbutyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 66107156
1-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 106176235
3-(3-ethoxypropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82769807
3-[3-(dimethylamino)propyl]-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82769309
2-butan-2-yl-1-(2-ethoxyethyl)benzimidazole-5-carboxylic acid
CID 46309219
2-butan-2-yl-1-[2-(diethylamino)ethyl]benzimidazole-5-carboxylic acid
CID 46309354

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid (CID 43322844) is 1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid is CCCCn1c(C(C)C)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The InChIKey is BINWHLIEXDRVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-5-8-17-13-7-6-11(15(18)19)9-12(13)16-14(17)10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid?
1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 43322844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).