(1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide

C20H19N3O — CID 41491419

IUPAC(1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CC=CCC1
InChIInChI=1S/C20H19N3O/c24-20(15-6-2-1-3-7-15)22-16-10-12-17(13-11-16)23-14-21-18-8-4-5-9-19(18)23/h1-2,4-5,8-15H,3,6-7H2,(H,22,24)/t15-/m0/s1
InChIKeyZSBOGPUIPHYUOH-HNNXBMFYSA-N
MW317.39 g/mol
LogP4.32
Rot. Bonds3

About (1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 41491419) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID41491419
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CC=CCC1
InChIInChI=1S/C20H19N3O/c24-20(15-6-2-1-3-7-15)22-16-10-12-17(13-11-16)23-14-21-18-8-4-5-9-19(18)23/h1-2,4-5,8-15H,3,6-7H2,(H,22,24)/t15-/m0/s1
InChIKeyZSBOGPUIPHYUOH-HNNXBMFYSA-N
XLogP4.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 46642187
N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24512634
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 56824835
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
(2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120797183
N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 60554757
N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42883707
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
(2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 126785065
N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55556169
(1R)-N-(4-phenoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 8780376

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide (CID 41491419) is (1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide is O=C(Nc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ZSBOGPUIPHYUOH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(15-6-2-1-3-7-15)22-16-10-12-17(13-11-16)23-14-21-18-8-4-5-9-19(18)23/h1-2,4-5,8-15H,3,6-7H2,(H,22,24)/t15-/m0/s1.
What are the key properties of (1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 41491419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).