trans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide

C15H10BrN5O — CID 52508880

IUPACtrans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide
SMILESN#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)[nH]c1C#N
InChIInChI=1S/C15H10BrN5O/c16-9-3-1-2-8(4-9)10-5-11(10)14(22)21-15-19-12(6-17)13(7-18)20-15/h1-4,10-11H,5H2,(H2,19,20,21,22)/t10-,11+/m0/s1
InChIKeyPBKSBQWUFFRKNW-WDEREUQCSA-N
MW356.18 g/mol
LogP2.66
Rot. Bonds3

About trans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 52508880) has the molecular formula C15H10BrN5O and a molecular weight of 356.18 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide
PubChem CID52508880
Molecular FormulaC15H10BrN5O
Molecular Weight356.18 g/mol
Exact Mass355.01
IUPAC Nametrans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide
SMILESN#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)[nH]c1C#N
InChIInChI=1S/C15H10BrN5O/c16-9-3-1-2-8(4-9)10-5-11(10)14(22)21-15-19-12(6-17)13(7-18)20-15/h1-4,10-11H,5H2,(H2,19,20,21,22)/t10-,11+/m0/s1
InChIKeyPBKSBQWUFFRKNW-WDEREUQCSA-N
XLogP2.66
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90336073
3-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220666
N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119524603
trans-(1R,2R)-2-(3-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94816452
2-(3-bromophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 49158091
trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide
CID 94813050
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 840089
7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid
CID 119227195
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 119571568
2-(3-bromophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 49161707
N-(3-aminopropyl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119408418
methyl 3-[[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95284135

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide (CID 52508880) is trans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide is N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)[nH]c1C#N.
What is the InChIKey of trans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is PBKSBQWUFFRKNW-WDEREUQCSA-N. The full InChI is InChI=1S/C15H10BrN5O/c16-9-3-1-2-8(4-9)10-5-11(10)14(22)21-15-19-12(6-17)13(7-18)20-15/h1-4,10-11H,5H2,(H2,19,20,21,22)/t10-,11+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 356.18 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-bromophenyl)-N-(4,5-dicyano-1H-imidazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 52508880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).