1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide

C13H12ClN5O — CID 107496291

IUPAC1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C13H12ClN5O/c14-10-2-1-9(6-16)11(5-10)18-13(20)12-7-19(4-3-15)8-17-12/h1-2,5,7-8H,3-4,15H2,(H,18,20)
InChIKeyQBFJOTCFIHLVAY-UHFFFAOYSA-N
MW289.73 g/mol
LogP1.62
Rot. Bonds4

About 1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide (PubChem CID 107496291) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide
PubChem CID107496291
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C13H12ClN5O/c14-10-2-1-9(6-16)11(5-10)18-13(20)12-7-19(4-3-15)8-17-12/h1-2,5,7-8H,3-4,15H2,(H,18,20)
InChIKeyQBFJOTCFIHLVAY-UHFFFAOYSA-N
XLogP1.62
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide
CID 107497756
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-fluorobenzoic acid
CID 107496656
1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide
CID 107496029
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-hydroxybenzoic acid
CID 107499979
1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide
CID 107495632
1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
CID 107497777
1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide
CID 107595032
1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide
CID 107497766
1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide
CID 107499209
1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide
CID 107495666
5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
CID 60628665
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107974028

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide (CID 107496291) is 1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide is N#Cc1ccc(Cl)cc1NC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide?
The InChIKey is QBFJOTCFIHLVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c14-10-2-1-9(6-16)11(5-10)18-13(20)12-7-19(4-3-15)8-17-12/h1-2,5,7-8H,3-4,15H2,(H,18,20).
What are the key properties of 1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide has a molecular weight of 289.73 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 107496291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).