5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide

C14H22N4O2 — CID 46264452

IUPAC5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc[nH]c1C(=O)NCC1CC1
InChIInChI=1S/C14H22N4O2/c1-9(2)5-6-15-13(19)11-12(18-8-17-11)14(20)16-7-10-3-4-10/h8-10H,3-7H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyRUIFBTAUXZBLRD-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.33
Rot. Bonds7

About 5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide

5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 46264452) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID46264452
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc[nH]c1C(=O)NCC1CC1
InChIInChI=1S/C14H22N4O2/c1-9(2)5-6-15-13(19)11-12(18-8-17-11)14(20)16-7-10-3-4-10/h8-10H,3-7H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyRUIFBTAUXZBLRD-UHFFFAOYSA-N
XLogP1.33
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide (CID 46264452) is 5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide is CC(C)CCNC(=O)c1nc[nH]c1C(=O)NCC1CC1.
What is the InChIKey of 5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is RUIFBTAUXZBLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)5-6-15-13(19)11-12(18-8-17-11)14(20)16-7-10-3-4-10/h8-10H,3-7H2,1-2H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclopropylmethyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 46264452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).