N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide

C15H23N3O — CID 70754581

IUPACN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide
SMILESO=C(CCCn1ccnc1)N[C@H]1CC[C@@H]2CCC[C@@H]21
InChIInChI=1S/C15H23N3O/c19-15(5-2-9-18-10-8-16-11-18)17-14-7-6-12-3-1-4-13(12)14/h8,10-14H,1-7,9H2,(H,17,19)/t12-,13-,14-/m0/s1
InChIKeyAJANFJOILPQAGR-IHRRRGAJSA-N
MW261.37 g/mol
LogP2.36
Rot. Bonds5

About N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide

N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide (PubChem CID 70754581) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide
PubChem CID70754581
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide
SMILESO=C(CCCn1ccnc1)N[C@H]1CC[C@@H]2CCC[C@@H]21
InChIInChI=1S/C15H23N3O/c19-15(5-2-9-18-10-8-16-11-18)17-14-7-6-12-3-1-4-13(12)14/h8,10-14H,1-7,9H2,(H,17,19)/t12-,13-,14-/m0/s1
InChIKeyAJANFJOILPQAGR-IHRRRGAJSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide with MolForge

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 2932382
N-[rel-(3R,4S)-1-cyclopentyl-4-cyclopropyl-3-pyrrolidinyl]-4-(1H-imidazol-1-yl)butanamide dihydrochloride
CID 72852975
N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide
CID 4108958
2-cyclopentyl-N-(2-imidazol-1-ylethyl)acetamide
CID 47020068
3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47020069
N-(2-imidazol-1-ylcyclopentyl)cyclohexanecarboxamide
CID 56812384
(3R*,4S*)-4-cyclopropyl-1-[4-(1H-imidazol-1-yl)butanoyl]pyrrolidin-3-amine
CID 72880571
2-[(1S,2R)-2-aminocyclopentyl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide
CID 121796833
2-[(1S,2R)-2-aminocyclopentyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 121797601
2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide
CID 59550300
2-amino-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 64824865
N-(2-bicyclo[2.1.1]hexanyl)imidazole-1-carboxamide
CID 91443916

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide?
The IUPAC name of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide (CID 70754581) is N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide.
What is the SMILES notation for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide?
The canonical SMILES for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide is O=C(CCCn1ccnc1)N[C@H]1CC[C@@H]2CCC[C@@H]21.
What is the InChIKey of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide?
The InChIKey is AJANFJOILPQAGR-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H23N3O/c19-15(5-2-9-18-10-8-16-11-18)17-14-7-6-12-3-1-4-13(12)14/h8,10-14H,1-7,9H2,(H,17,19)/t12-,13-,14-/m0/s1.
What are the key properties of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide?
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide has a molecular weight of 261.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4-imidazol-1-ylbutanamide is sourced from PubChem (CID 70754581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).