N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide

C14H15N3O — CID 12911535

IUPACN-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)C1CCC1
InChIInChI=1S/C14H15N3O/c18-14(11-4-3-5-11)16-12-6-1-2-7-13(12)17-9-8-15-10-17/h1-2,6-11H,3-5H2,(H,16,18)
InChIKeyZRZUMZHKLXYORL-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.61
Rot. Bonds3

About N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide

N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide (PubChem CID 12911535) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
PubChem CID12911535
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)C1CCC1
InChIInChI=1S/C14H15N3O/c18-14(11-4-3-5-11)16-12-6-1-2-7-13(12)17-9-8-15-10-17/h1-2,6-11H,3-5H2,(H,16,18)
InChIKeyZRZUMZHKLXYORL-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81123663
(2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide
CID 104912825
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
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N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide
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N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide
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N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434124
(2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride
CID 120797789
1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid
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N-(2-imidazol-1-ylphenyl)-2-piperidin-3-ylacetamide
CID 62677033
N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide
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N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
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CID 78899801

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide (CID 12911535) is N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide is O=C(Nc1ccccc1-n1ccnc1)C1CCC1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide?
The InChIKey is ZRZUMZHKLXYORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(11-4-3-5-11)16-12-6-1-2-7-13(12)17-9-8-15-10-17/h1-2,6-11H,3-5H2,(H,16,18).
What are the key properties of N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide?
N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 12911535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).