N-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane

C19H17BrN4O — CID 90729271

IUPACN-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane
SMILESCC.N#Cc1cccc(-n2ccnc2C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H11BrN4O.C2H6/c18-13-4-6-14(7-5-13)21-17(23)16-20-8-9-22(16)15-3-1-2-12(10-15)11-19;1-2/h1-10H,(H,21,23);1-2H3
InChIKeyCCDBHSCBLAWWAD-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.78
Rot. Bonds3

About N-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane

N-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane (PubChem CID 90729271) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane
PubChem CID90729271
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane
SMILESCC.N#Cc1cccc(-n2ccnc2C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H11BrN4O.C2H6/c18-13-4-6-14(7-5-13)21-17(23)16-20-8-9-22(16)15-3-1-2-12(10-15)11-19;1-2/h1-10H,(H,21,23);1-2H3
InChIKeyCCDBHSCBLAWWAD-UHFFFAOYSA-N
XLogP4.78
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-cyanobenzamide
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2,5-dibromo-N-(3-cyanophenyl)benzamide
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4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide
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1-(3-cyanophenyl)pyrrole-2-carboxylic acid
CID 10488716
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane?
The IUPAC name of N-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane (CID 90729271) is N-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane.
What is the SMILES notation for N-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane?
The canonical SMILES for N-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane is CC.N#Cc1cccc(-n2ccnc2C(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane?
The InChIKey is CCDBHSCBLAWWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4O.C2H6/c18-13-4-6-14(7-5-13)21-17(23)16-20-8-9-22(16)15-3-1-2-12(10-15)11-19;1-2/h1-10H,(H,21,23);1-2H3.
What are the key properties of N-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane?
N-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane has a molecular weight of 397.28 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane is sourced from PubChem (CID 90729271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).