2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide

C11H15N3O — CID 75382402

IUPAC2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC2CC2)c(C2CC2)n1
InChIInChI=1S/C11H15N3O/c12-10(15)9-6-14(5-7-1-2-7)11(13-9)8-3-4-8/h6-8H,1-5H2,(H2,12,15)
InChIKeyXZMYAFRSEAIVBS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.27
Rot. Bonds4

About 2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide

2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide (PubChem CID 75382402) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide
PubChem CID75382402
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC2CC2)c(C2CC2)n1
InChIInChI=1S/C11H15N3O/c12-10(15)9-6-14(5-7-1-2-7)11(13-9)8-3-4-8/h6-8H,1-5H2,(H2,12,15)
InChIKeyXZMYAFRSEAIVBS-UHFFFAOYSA-N
XLogP1.27
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide (CID 75382402) is 2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide is NC(=O)c1cn(CC2CC2)c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide?
The InChIKey is XZMYAFRSEAIVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-10(15)9-6-14(5-7-1-2-7)11(13-9)8-3-4-8/h6-8H,1-5H2,(H2,12,15).
What are the key properties of 2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide?
2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(cyclopropylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 75382402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).