1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide

C12H21N5O2 — CID 107496920

IUPAC1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1cn(CCN)cn1
InChIInChI=1S/C12H21N5O2/c1-9(2)15-11(18)7-16(3)12(19)10-6-17(5-4-13)8-14-10/h6,8-9H,4-5,7,13H2,1-3H3,(H,15,18)
InChIKeyWOLVISWFJKAZKQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.56
Rot. Bonds6

About 1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide (PubChem CID 107496920) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide
PubChem CID107496920
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1cn(CCN)cn1
InChIInChI=1S/C12H21N5O2/c1-9(2)15-11(18)7-16(3)12(19)10-6-17(5-4-13)8-14-10/h6,8-9H,4-5,7,13H2,1-3H3,(H,15,18)
InChIKeyWOLVISWFJKAZKQ-UHFFFAOYSA-N
XLogP-0.56
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide
CID 107499326
1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide
CID 107498076
1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide
CID 107498391
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]-ethylamino]-2-methylpropanoic acid
CID 107498349
1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide
CID 107496849
1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide
CID 107498649
1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide
CID 107495803
4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
CID 107498788
1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
CID 107499201
1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
CID 107498166
1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide
CID 107498305

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide (CID 107496920) is 1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide is CC(C)NC(=O)CN(C)C(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide?
The InChIKey is WOLVISWFJKAZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-9(2)15-11(18)7-16(3)12(19)10-6-17(5-4-13)8-14-10/h6,8-9H,4-5,7,13H2,1-3H3,(H,15,18).
What are the key properties of 1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 107496920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).