N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide

C16H19N3O — CID 110471674

IUPACN-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2cnc[nH]2)cc1)C1CCCCC1
InChIInChI=1S/C16H19N3O/c20-16(13-4-2-1-3-5-13)19-14-8-6-12(7-9-14)15-10-17-11-18-15/h6-11,13H,1-5H2,(H,17,18)(H,19,20)
InChIKeySZDGTMSFQOTZDN-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.60
Rot. Bonds3

About N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide

N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide (PubChem CID 110471674) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
PubChem CID110471674
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2cnc[nH]2)cc1)C1CCCCC1
InChIInChI=1S/C16H19N3O/c20-16(13-4-2-1-3-5-13)19-14-8-6-12(7-9-14)15-10-17-11-18-15/h6-11,13H,1-5H2,(H,17,18)(H,19,20)
InChIKeySZDGTMSFQOTZDN-UHFFFAOYSA-N
XLogP3.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 60849609
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CID 110668538
N-[4-(1H-imidazol-5-yl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136577610
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110735497
N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine
CID 43722407
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
trans-(1S,3S)-3-[[4-(1H-imidazol-5-yl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391482
N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide
CID 102563631
2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 62733559
N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide
CID 91956301
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-cyclopropyl-4-(1H-imidazol-5-yl)aniline
CID 103439039

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide (CID 110471674) is N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(-c2cnc[nH]2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is SZDGTMSFQOTZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(13-4-2-1-3-5-13)19-14-8-6-12(7-9-14)15-10-17-11-18-15/h6-11,13H,1-5H2,(H,17,18)(H,19,20).
What are the key properties of N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide?
N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 110471674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).