2-undecylbenzimidazole-2-carboxylic acid

C19H28N2O2 — CID 150823870

IUPAC2-undecylbenzimidazole-2-carboxylic acid
SMILESCCCCCCCCCCCC1(C(=O)O)N=c2ccccc2=N1
InChIInChI=1S/C19H28N2O2/c1-2-3-4-5-6-7-8-9-12-15-19(18(22)23)20-16-13-10-11-14-17(16)21-19/h10-11,13-14H,2-9,12,15H2,1H3,(H,22,23)
InChIKeyKKMQCBJFYIONBU-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.64
Rot. Bonds11

About 2-undecylbenzimidazole-2-carboxylic acid

2-undecylbenzimidazole-2-carboxylic acid (PubChem CID 150823870) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-undecylbenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name2-undecylbenzimidazole-2-carboxylic acid
PubChem CID150823870
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-undecylbenzimidazole-2-carboxylic acid
SMILESCCCCCCCCCCCC1(C(=O)O)N=c2ccccc2=N1
InChIInChI=1S/C19H28N2O2/c1-2-3-4-5-6-7-8-9-12-15-19(18(22)23)20-16-13-10-11-14-17(16)21-19/h10-11,13-14H,2-9,12,15H2,1H3,(H,22,23)
InChIKeyKKMQCBJFYIONBU-UHFFFAOYSA-N
XLogP3.64
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-undecylbenzimidazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419
decane;phthalic acid
CID 158763790
1-heptyl-2,3-dihydroindene-1-carboxylic acid
CID 65406431
3-octyl-2,4-dihydrochromene-3-carboxylic acid
CID 65406790
carbonic acid;1,2-dioctylbenzene
CID 174715227
carbonic acid;1,2-dihexylbenzene
CID 174444225
(3-pentyldioxiran-3-yl)-phenylmethanone
CID 176657439
dodecane;phenol
CID 157210063
hexane;1-phenylethanone
CID 160797049
2-fluoroacetic acid;nonylbenzene
CID 162096715
1,1'-biphenyl;heptadecan-9-one
CID 19613965
benzoic acid;hexan-1-ol
CID 175334621

Frequently Asked Questions

What is the IUPAC name of 2-undecylbenzimidazole-2-carboxylic acid?
The IUPAC name of 2-undecylbenzimidazole-2-carboxylic acid (CID 150823870) is 2-undecylbenzimidazole-2-carboxylic acid.
What is the SMILES notation for 2-undecylbenzimidazole-2-carboxylic acid?
The canonical SMILES for 2-undecylbenzimidazole-2-carboxylic acid is CCCCCCCCCCCC1(C(=O)O)N=c2ccccc2=N1.
What is the InChIKey of 2-undecylbenzimidazole-2-carboxylic acid?
The InChIKey is KKMQCBJFYIONBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-3-4-5-6-7-8-9-12-15-19(18(22)23)20-16-13-10-11-14-17(16)21-19/h10-11,13-14H,2-9,12,15H2,1H3,(H,22,23).
What are the key properties of 2-undecylbenzimidazole-2-carboxylic acid?
2-undecylbenzimidazole-2-carboxylic acid has a molecular weight of 316.44 g/mol, XLogP of 3.64, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecylbenzimidazole-2-carboxylic acid is sourced from PubChem (CID 150823870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).