[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C26H28N6O — CID 4990986

IUPAC[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(C1CCc2ccccc2C1)N1CCC(c2nccn2Cn2nnc3ccccc32)CC1
InChIInChI=1S/C26H28N6O/c33-26(22-10-9-19-5-1-2-6-21(19)17-22)30-14-11-20(12-15-30)25-27-13-16-31(25)18-32-24-8-4-3-7-23(24)28-29-32/h1-8,13,16,20,22H,9-12,14-15,17-18H2
InChIKeySYSSSILTORROLZ-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.64
Rot. Bonds4

About [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 4990986) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID4990986
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(C1CCc2ccccc2C1)N1CCC(c2nccn2Cn2nnc3ccccc32)CC1
InChIInChI=1S/C26H28N6O/c33-26(22-10-9-19-5-1-2-6-21(19)17-22)30-14-11-20(12-15-30)25-27-13-16-31(25)18-32-24-8-4-3-7-23(24)28-29-32/h1-8,13,16,20,22H,9-12,14-15,17-18H2
InChIKeySYSSSILTORROLZ-UHFFFAOYSA-N
XLogP3.64
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 3583911
3-[3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3792150
[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone
CID 3685428
[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 3773176
1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 3603099
N-[1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide
CID 3350217
[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-chloro-4-methoxythiophen-3-yl)methanone
CID 3776186
1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-[(3-nitrophenyl)methylidene]butan-1-one
CID 3765831
2-(benzotriazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 46958886
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 17411065
[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 45180063
[(3R)-3-aminopyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127292

Frequently Asked Questions

What is the IUPAC name of [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 4990986) is [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is O=C(C1CCc2ccccc2C1)N1CCC(c2nccn2Cn2nnc3ccccc32)CC1.
What is the InChIKey of [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is SYSSSILTORROLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c33-26(22-10-9-19-5-1-2-6-21(19)17-22)30-14-11-20(12-15-30)25-27-13-16-31(25)18-32-24-8-4-3-7-23(24)28-29-32/h1-8,13,16,20,22H,9-12,14-15,17-18H2.
What are the key properties of [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 440.55 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 4990986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).