1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide

C12H17N3O — CID 75388131

IUPAC1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide
SMILESNC(=O)c1cn(CC2CCC2)c(C2CC2)n1
InChIInChI=1S/C12H17N3O/c13-11(16)10-7-15(6-8-2-1-3-8)12(14-10)9-4-5-9/h7-9H,1-6H2,(H2,13,16)
InChIKeyTWPRHHSLKYQUHD-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.66
Rot. Bonds4

About 1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide

1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide (PubChem CID 75388131) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide
PubChem CID75388131
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide
SMILESNC(=O)c1cn(CC2CCC2)c(C2CC2)n1
InChIInChI=1S/C12H17N3O/c13-11(16)10-7-15(6-8-2-1-3-8)12(14-10)9-4-5-9/h7-9H,1-6H2,(H2,13,16)
InChIKeyTWPRHHSLKYQUHD-UHFFFAOYSA-N
XLogP1.66
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide?
The IUPAC name of 1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide (CID 75388131) is 1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide?
The canonical SMILES for 1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide is NC(=O)c1cn(CC2CCC2)c(C2CC2)n1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide?
The InChIKey is TWPRHHSLKYQUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-11(16)10-7-15(6-8-2-1-3-8)12(14-10)9-4-5-9/h7-9H,1-6H2,(H2,13,16).
What are the key properties of 1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide?
1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-cyclopropylimidazole-4-carboxamide is sourced from PubChem (CID 75388131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).