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

C18H17N5O2 — CID 24759507

IUPACN-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C(N)=O)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C18H17N5O2/c19-9-13-10-21-17(22-13)18(25)23-15-7-6-12(16(20)24)8-14(15)11-4-2-1-3-5-11/h4,6-8,10H,1-3,5H2,(H2,20,24)(H,21,22)(H,23,25)
InChIKeyVOAYWJAHIYVVPX-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.59
Rot. Bonds4

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

N-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (PubChem CID 24759507) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
PubChem CID24759507
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C(N)=O)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C18H17N5O2/c19-9-13-10-21-17(22-13)18(25)23-15-7-6-12(16(20)24)8-14(15)11-4-2-1-3-5-11/h4,6-8,10H,1-3,5H2,(H2,20,24)(H,21,22)(H,23,25)
InChIKeyVOAYWJAHIYVVPX-UHFFFAOYSA-N
XLogP2.59
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The IUPAC name of N-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (CID 24759507) is N-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C(N)=O)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of N-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The InChIKey is VOAYWJAHIYVVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-9-13-10-21-17(22-13)18(25)23-15-7-6-12(16(20)24)8-14(15)11-4-2-1-3-5-11/h4,6-8,10H,1-3,5H2,(H2,20,24)(H,21,22)(H,23,25).
What are the key properties of N-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
N-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24759507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).