3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine

C17H21N3S — CID 107133492

IUPAC3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine
SMILESNc1c(C2CCSC2)nc(C2CC2)n1Cc1ccccc1
InChIInChI=1S/C17H21N3S/c18-16-15(14-8-9-21-11-14)19-17(13-6-7-13)20(16)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11,18H2
InChIKeyNNSSVVMXTIRCHZ-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.61
Rot. Bonds4

About 3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine

3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine (PubChem CID 107133492) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine
PubChem CID107133492
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine
SMILESNc1c(C2CCSC2)nc(C2CC2)n1Cc1ccccc1
InChIInChI=1S/C17H21N3S/c18-16-15(14-8-9-21-11-14)19-17(13-6-7-13)20(16)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11,18H2
InChIKeyNNSSVVMXTIRCHZ-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-2-cyclopropyl-5-ethylimidazol-4-amine
CID 55048885
2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine
CID 107133520
3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine
CID 62218283
2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine
CID 107133521
3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine
CID 62220469
3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine
CID 113228770
3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine
CID 62384468
4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117160431
3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine
CID 113463505
4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline
CID 82150076
2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine
CID 107133535
2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine
CID 107298291

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine?
The IUPAC name of 3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine (CID 107133492) is 3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine.
What is the SMILES notation for 3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine?
The canonical SMILES for 3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine is Nc1c(C2CCSC2)nc(C2CC2)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine?
The InChIKey is NNSSVVMXTIRCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c18-16-15(14-8-9-21-11-14)19-17(13-6-7-13)20(16)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11,18H2.
What are the key properties of 3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine?
3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine has a molecular weight of 299.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine is sourced from PubChem (CID 107133492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).