N-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide

C22H24N4O — CID 119128161

IUPACN-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NCc1ncc(-c2ccccc2)[nH]1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H24N4O/c1-15(16-9-11-19(12-10-16)25-22(27)18-7-8-18)23-14-21-24-13-20(26-21)17-5-3-2-4-6-17/h2-6,9-13,15,18,23H,7-8,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyAXRJRVYKLWBRQA-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.28
Rot. Bonds7

About N-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 119128161) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID119128161
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NCc1ncc(-c2ccccc2)[nH]1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H24N4O/c1-15(16-9-11-19(12-10-16)25-22(27)18-7-8-18)23-14-21-24-13-20(26-21)17-5-3-2-4-6-17/h2-6,9-13,15,18,23H,7-8,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyAXRJRVYKLWBRQA-UHFFFAOYSA-N
XLogP4.28
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]methyl]benzoic acid
CID 122030150
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 94193646
N-[4-[1-[[2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 86860974
N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 47025388
N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 136580210
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110735497
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[2-[[N-ethyl-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927710
2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid
CID 119994891
2-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 126817370

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 119128161) is N-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide is CC(NCc1ncc(-c2ccccc2)[nH]1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is AXRJRVYKLWBRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(16-9-11-19(12-10-16)25-22(27)18-7-8-18)23-14-21-24-13-20(26-21)17-5-3-2-4-6-17/h2-6,9-13,15,18,23H,7-8,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 119128161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).