2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid

C15H19N3O2 — CID 43831374

IUPAC2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(NC2CCCCC2)nc2ccccc21
InChIInChI=1S/C15H19N3O2/c19-14(20)10-18-13-9-5-4-8-12(13)17-15(18)16-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)(H,19,20)
InChIKeyBQPUWQWATJGQSL-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.87
Rot. Bonds4

About 2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid

2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid (PubChem CID 43831374) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid
PubChem CID43831374
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(NC2CCCCC2)nc2ccccc21
InChIInChI=1S/C15H19N3O2/c19-14(20)10-18-13-9-5-4-8-12(13)17-15(18)16-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)(H,19,20)
InChIKeyBQPUWQWATJGQSL-UHFFFAOYSA-N
XLogP2.87
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic 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-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
CID 115144104
2-(2-hydrazinylbenzimidazol-1-yl)acetic acid
CID 2773162
2-(2-anilinobenzimidazol-1-yl)acetic acid
CID 15944452
N-cyclohexyl-1-phenylbenzimidazol-2-amine
CID 53254471
N-cyclopentyl-2-[2-(ethylamino)benzimidazol-1-yl]acetamide
CID 82359517
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid
CID 119027105
2-[2-(1H-pyrrol-2-ylamino)benzimidazol-1-yl]acetic acid
CID 115144069
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629
N-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine
CID 10854865
2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 82359384

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid (CID 43831374) is 2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid is O=C(O)Cn1c(NC2CCCCC2)nc2ccccc21.
What is the InChIKey of 2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid?
The InChIKey is BQPUWQWATJGQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14(20)10-18-13-9-5-4-8-12(13)17-15(18)16-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)(H,19,20).
What are the key properties of 2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid?
2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid has a molecular weight of 273.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 43831374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).