1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide

C12H21N5O2 — CID 107498083

IUPAC1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C12H21N5O2/c1-2-5-14-11(18)3-6-15-12(19)10-8-17(7-4-13)9-16-10/h8-9H,2-7,13H2,1H3,(H,14,18)(H,15,19)
InChIKeyFWWNNRPKFVDCMR-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.51
Rot. Bonds8

About 1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide (PubChem CID 107498083) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide
PubChem CID107498083
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C12H21N5O2/c1-2-5-14-11(18)3-6-15-12(19)10-8-17(7-4-13)9-16-10/h8-9H,2-7,13H2,1H3,(H,14,18)(H,15,19)
InChIKeyFWWNNRPKFVDCMR-UHFFFAOYSA-N
XLogP-0.51
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide
CID 107499654
N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
CID 107496025
1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide
CID 106336759
1-(2-aminoethyl)-N-(2-pyrrol-1-ylethyl)imidazole-4-carboxamide
CID 106391058
1-(2-aminoethyl)-N-(3-methylsulfonylpropyl)imidazole-4-carboxamide
CID 107497378
1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide
CID 107498968
1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide
CID 107499759
2-[[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]methyl]-2-ethylbutanoic acid
CID 107499474
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide
CID 107498921
1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide
CID 107498288
1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide
CID 106325265
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide (CID 107498083) is 1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide is CCCNC(=O)CCNC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide?
The InChIKey is FWWNNRPKFVDCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-2-5-14-11(18)3-6-15-12(19)10-8-17(7-4-13)9-16-10/h8-9H,2-7,13H2,1H3,(H,14,18)(H,15,19).
What are the key properties of 1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide is sourced from PubChem (CID 107498083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).