1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide

C14H16Cl2N4O — CID 107497624

IUPAC1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide
SMILESCC(NC(=O)c1cn(CCN)cn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N4O/c1-9(10-2-3-11(15)12(16)6-10)19-14(21)13-7-20(5-4-17)8-18-13/h2-3,6-9H,4-5,17H2,1H3,(H,19,21)
InChIKeyDPSHQUVSRIWJKP-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.64
Rot. Bonds5

About 1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide (PubChem CID 107497624) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide
PubChem CID107497624
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide
SMILESCC(NC(=O)c1cn(CCN)cn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N4O/c1-9(10-2-3-11(15)12(16)6-10)19-14(21)13-7-20(5-4-17)8-18-13/h2-3,6-9H,4-5,17H2,1H3,(H,19,21)
InChIKeyDPSHQUVSRIWJKP-UHFFFAOYSA-N
XLogP2.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 107497612
1-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-carboxamide
CID 114158942
1-(2-aminoethyl)-N-(2-methyl-1-phenylpropyl)imidazole-4-carboxamide
CID 107496348
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699
1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide
CID 106388320
1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
CID 107498166
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80543571
methyl (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-methylpentanoate
CID 107499600
[1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 107501668
1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide
CID 107495632
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377096
1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide
CID 107496790

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide (CID 107497624) is 1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide is CC(NC(=O)c1cn(CCN)cn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide?
The InChIKey is DPSHQUVSRIWJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-9(10-2-3-11(15)12(16)6-10)19-14(21)13-7-20(5-4-17)8-18-13/h2-3,6-9H,4-5,17H2,1H3,(H,19,21).
What are the key properties of 1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 107497624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).