[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone

C25H25ClN6O — CID 3685428

IUPAC[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone
SMILESO=C(N1CCC(c2nccn2Cn2nnc3ccccc32)CC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H25ClN6O/c26-20-7-5-19(6-8-20)25(11-12-25)24(33)30-14-9-18(10-15-30)23-27-13-16-31(23)17-32-22-4-2-1-3-21(22)28-29-32/h1-8,13,16,18H,9-12,14-15,17H2
InChIKeyQGSAQSPYJLTHHR-UHFFFAOYSA-N
MW460.97 g/mol
LogP4.22
Rot. Bonds5

About [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone

[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone (PubChem CID 3685428) has the molecular formula C25H25ClN6O and a molecular weight of 460.97 g/mol. Its IUPAC name is [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone
PubChem CID3685428
Molecular FormulaC25H25ClN6O
Molecular Weight460.97 g/mol
Exact Mass460.18
IUPAC Name[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone
SMILESO=C(N1CCC(c2nccn2Cn2nnc3ccccc32)CC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H25ClN6O/c26-20-7-5-19(6-8-20)25(11-12-25)24(33)30-14-9-18(10-15-30)23-27-13-16-31(23)17-32-22-4-2-1-3-21(22)28-29-32/h1-8,13,16,18H,9-12,14-15,17H2
InChIKeyQGSAQSPYJLTHHR-UHFFFAOYSA-N
XLogP4.22
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 3603099
[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 4990986
[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 3583911
[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-chloro-4-methoxythiophen-3-yl)methanone
CID 3776186
3-[3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3792150
[1-(4-chlorophenyl)cyclopropyl]-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 3876045
[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 3773176
N-[1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide
CID 3350217
1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-[(3-nitrophenyl)methylidene]butan-1-one
CID 3765831
[1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone
CID 26341021
2-(benzotriazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 46958886
[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 70748304

Frequently Asked Questions

What is the IUPAC name of [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone?
The IUPAC name of [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone (CID 3685428) is [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone?
The canonical SMILES for [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone is O=C(N1CCC(c2nccn2Cn2nnc3ccccc32)CC1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone?
The InChIKey is QGSAQSPYJLTHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O/c26-20-7-5-19(6-8-20)25(11-12-25)24(33)30-14-9-18(10-15-30)23-27-13-16-31(23)17-32-22-4-2-1-3-21(22)28-29-32/h1-8,13,16,18H,9-12,14-15,17H2.
What are the key properties of [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone?
[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone has a molecular weight of 460.97 g/mol, XLogP of 4.22, 5 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-(4-chlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 3685428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).