3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide

C14H24N4O — CID 79649025

IUPAC3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCc1ncn(C2CCC(NC(C)C)(C(N)=O)C2)c1C
InChIInChI=1S/C14H24N4O/c1-9(2)17-14(13(15)19)6-5-12(7-14)18-8-16-10(3)11(18)4/h8-9,12,17H,5-7H2,1-4H3,(H2,15,19)
InChIKeyAQUCNQCWROHBIJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.45
Rot. Bonds4

About 3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide

3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 79649025) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID79649025
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCc1ncn(C2CCC(NC(C)C)(C(N)=O)C2)c1C
InChIInChI=1S/C14H24N4O/c1-9(2)17-14(13(15)19)6-5-12(7-14)18-8-16-10(3)11(18)4/h8-9,12,17H,5-7H2,1-4H3,(H2,15,19)
InChIKeyAQUCNQCWROHBIJ-UHFFFAOYSA-N
XLogP1.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 79649025) is 3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide is Cc1ncn(C2CCC(NC(C)C)(C(N)=O)C2)c1C.
What is the InChIKey of 3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is AQUCNQCWROHBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9(2)17-14(13(15)19)6-5-12(7-14)18-8-16-10(3)11(18)4/h8-9,12,17H,5-7H2,1-4H3,(H2,15,19).
What are the key properties of 3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79649025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).