2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid

C14H21N3O3 — CID 2933526

IUPAC2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H21N3O3/c18-13(11-4-1-2-5-12(11)14(19)20)16-6-3-8-17-9-7-15-10-17/h7,9-12H,1-6,8H2,(H,16,18)(H,19,20)
InChIKeyARZXFJDUJWRLJI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.28
Rot. Bonds6

About 2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid

2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 2933526) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID2933526
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H21N3O3/c18-13(11-4-1-2-5-12(11)14(19)20)16-6-3-8-17-9-7-15-10-17/h7,9-12H,1-6,8H2,(H,16,18)(H,19,20)
InChIKeyARZXFJDUJWRLJI-UHFFFAOYSA-N
XLogP1.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-({[3-(1H-imidazol-1-yl)propyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2933059
3-[N-(3-imidazolylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 3244763
cyclohexyl-N-(3-imidazolylpropyl)carboxamide
CID 3425823
2-Ethyl-5-(3-imidazol-1-ylpropylamino)-4-methyl-5-oxopentanoic acid
CID 139244409
3-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid
CID 63043336
2-[[[1-(Difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexane-1-carboxylic acid
CID 65897924
6-({[3-(1H-imidazol-1-yl)propyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
CID 3525145
ethyl 2-cyclohexyl-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxopropanoate
CID 4339771
3-cyclohexyl-N-[3-(1H-imidazol-1-yl)propyl]propanamide
CID 5144147
2-(3-Imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylate
CID 78437856
2-(2-Imidazol-1-yl-2-oxoethyl)heptadecanoic acid
CID 58711563
3-(Imidazole-1-carbonyl)octadecanoic acid
CID 58711569

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid (CID 2933526) is 2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is ARZXFJDUJWRLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-13(11-4-1-2-5-12(11)14(19)20)16-6-3-8-17-9-7-15-10-17/h7,9-12H,1-6,8H2,(H,16,18)(H,19,20).
What are the key properties of 2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2933526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).