N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide

C17H15BrN4O — CID 24759611

IUPACN-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(Br)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C17H15BrN4O/c18-12-6-7-15(14(8-12)11-4-2-1-3-5-11)22-17(23)16-20-10-13(9-19)21-16/h4,6-8,10H,1-3,5H2,(H,20,21)(H,22,23)
InChIKeyZXGFYPPEVVFCCC-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.25
Rot. Bonds3

About N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide

N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (PubChem CID 24759611) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
PubChem CID24759611
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC NameN-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(Br)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C17H15BrN4O/c18-12-6-7-15(14(8-12)11-4-2-1-3-5-11)22-17(23)16-20-10-13(9-19)21-16/h4,6-8,10H,1-3,5H2,(H,20,21)(H,22,23)
InChIKeyZXGFYPPEVVFCCC-UHFFFAOYSA-N
XLogP4.25
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid
CID 24874798
5-cyano-N-[2-(cyclohexen-1-yl)-4-pyridin-2-ylphenyl]-1H-imidazole-2-carboxamide
CID 24759173
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide
CID 24785380
N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 24759169
3-[4-[(5-carbamoyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;3-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid
CID 158889547
5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide
CID 71157223
5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide
CID 140651560
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(2-hydroxyethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11592380
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)-5-(hydroxymethyl)phenyl]-1H-imidazole-2-carboxamide
CID 24783103
N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 58994982
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(3-morpholin-4-ylpropanoyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11692059
4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid
CID 58994935

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The IUPAC name of N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (CID 24759611) is N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(Br)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The InChIKey is ZXGFYPPEVVFCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c18-12-6-7-15(14(8-12)11-4-2-1-3-5-11)22-17(23)16-20-10-13(9-19)21-16/h4,6-8,10H,1-3,5H2,(H,20,21)(H,22,23).
What are the key properties of N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide has a molecular weight of 371.24 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24759611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).