1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide

C15H18N4O — CID 115913761

IUPAC1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)NCCc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C15H18N4O/c16-12-3-1-11(2-4-12)15(6-7-15)14(20)18-8-5-13-9-17-10-19-13/h1-4,9-10H,5-8,16H2,(H,17,19)(H,18,20)
InChIKeyLFRJLLXAWFHJNC-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.38
Rot. Bonds5

About 1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 115913761) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID115913761
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)NCCc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C15H18N4O/c16-12-3-1-11(2-4-12)15(6-7-15)14(20)18-8-5-13-9-17-10-19-13/h1-4,9-10H,5-8,16H2,(H,17,19)(H,18,20)
InChIKeyLFRJLLXAWFHJNC-UHFFFAOYSA-N
XLogP1.38
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 65230866
(E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 115344385
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide
CID 74237071
1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide
CID 112558336
1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 112558317
5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65230532
1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide
CID 115913423
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119548194
methyl (2S)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 75434004
N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65232052
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide (CID 115913761) is 1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide is Nc1ccc(C2(C(=O)NCCc3cnc[nH]3)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is LFRJLLXAWFHJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-12-3-1-11(2-4-12)15(6-7-15)14(20)18-8-5-13-9-17-10-19-13/h1-4,9-10H,5-8,16H2,(H,17,19)(H,18,20).
What are the key properties of 1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115913761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).