5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole

C14H16N2 — CID 10727273

IUPAC5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole
SMILESC1=NCC(C2[C@H]3Cc4ccccc4C[C@@H]23)N1
InChIInChI=1S/C14H16N2/c1-2-4-10-6-12-11(5-9(10)3-1)14(12)13-7-15-8-16-13/h1-4,8,11-14H,5-7H2,(H,15,16)/t11-,12+,13?,14?
InChIKeyZTOZMRNKMZKZSI-VTXSZYRJSA-N
MW212.30 g/mol
LogP1.65
Rot. Bonds1

About 5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole

5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole (PubChem CID 10727273) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole
PubChem CID10727273
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole
SMILESC1=NCC(C2[C@H]3Cc4ccccc4C[C@@H]23)N1
InChIInChI=1S/C14H16N2/c1-2-4-10-6-12-11(5-9(10)3-1)14(12)13-7-15-8-16-13/h1-4,8,11-14H,5-7H2,(H,15,16)/t11-,12+,13?,14?
InChIKeyZTOZMRNKMZKZSI-VTXSZYRJSA-N
XLogP1.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole (CID 10727273) is 5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole is C1=NCC(C2[C@H]3Cc4ccccc4C[C@@H]23)N1.
What is the InChIKey of 5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is ZTOZMRNKMZKZSI-VTXSZYRJSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-4-10-6-12-11(5-9(10)3-1)14(12)13-7-15-8-16-13/h1-4,8,11-14H,5-7H2,(H,15,16)/t11-,12+,13?,14?.
What are the key properties of 5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole?
5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 212.30 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10727273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).