1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide

C11H15N5O — CID 134372971

IUPAC1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide
SMILESCc1cn(CCNC(=O)c2cn(C)cn2)cn1
InChIInChI=1S/C11H15N5O/c1-9-5-16(8-13-9)4-3-12-11(17)10-6-15(2)7-14-10/h5-8H,3-4H2,1-2H3,(H,12,17)
InChIKeyXZDSLJFMGMMHIG-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.36
Rot. Bonds4

About 1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide

1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide (PubChem CID 134372971) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide
PubChem CID134372971
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide
SMILESCc1cn(CCNC(=O)c2cn(C)cn2)cn1
InChIInChI=1S/C11H15N5O/c1-9-5-16(8-13-9)4-3-12-11(17)10-6-15(2)7-14-10/h5-8H,3-4H2,1-2H3,(H,12,17)
InChIKeyXZDSLJFMGMMHIG-UHFFFAOYSA-N
XLogP0.36
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 107971078
1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497339
1-(2-aminoethyl)-N-(2-pyrrol-1-ylethyl)imidazole-4-carboxamide
CID 106391058
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide
CID 107973596
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
N-(3-azidopropyl)-1-methylimidazole-4-carboxamide
CID 107974564
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 91923835
N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
CID 107496025
N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazole-4-carboxamide
CID 107975187
N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide
CID 118781993
1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496664

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide (CID 134372971) is 1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide is Cc1cn(CCNC(=O)c2cn(C)cn2)cn1.
What is the InChIKey of 1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide?
The InChIKey is XZDSLJFMGMMHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-9-5-16(8-13-9)4-3-12-11(17)10-6-15(2)7-14-10/h5-8H,3-4H2,1-2H3,(H,12,17).
What are the key properties of 1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide?
1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide has a molecular weight of 233.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 134372971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).