2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

C25H28ClN5O — CID 44532664

IUPAC2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CN1CCC(NCc2cnc(-c3ccc(Cl)cc3)[nH]2)CC1)N1CCc2ccccc21
InChIInChI=1S/C25H28ClN5O/c26-20-7-5-19(6-8-20)25-28-16-22(29-25)15-27-21-10-12-30(13-11-21)17-24(32)31-14-9-18-3-1-2-4-23(18)31/h1-8,16,21,27H,9-15,17H2,(H,28,29)
InChIKeyNJJZUIYQYQFMOG-UHFFFAOYSA-N
MW449.99 g/mol
LogP3.87
Rot. Bonds6

About 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 44532664) has the molecular formula C25H28ClN5O and a molecular weight of 449.99 g/mol. Its IUPAC name is 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID44532664
Molecular FormulaC25H28ClN5O
Molecular Weight449.99 g/mol
Exact Mass449.20
IUPAC Name2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CN1CCC(NCc2cnc(-c3ccc(Cl)cc3)[nH]2)CC1)N1CCc2ccccc21
InChIInChI=1S/C25H28ClN5O/c26-20-7-5-19(6-8-20)25-28-16-22(29-25)15-27-21-10-12-30(13-11-21)17-24(32)31-14-9-18-3-1-2-4-23(18)31/h1-8,16,21,27H,9-15,17H2,(H,28,29)
InChIKeyNJJZUIYQYQFMOG-UHFFFAOYSA-N
XLogP3.87
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)-(1H-imidazol-2-yl)methylidene]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-one
CID 67161540
2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide
CID 156027237
3-(4-Chloro-phenyl)-N-[4-(1H-imidazol-4-yl)-butyl]-3-pyridin-2-yl-propionamide
CID 9800162
3-(4-Chloro-phenyl)-N-[2-(1H-imidazol-4-yl)-ethyl]-N-methyl-3-pyridin-2-yl-propionamide
CID 10270424
2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide
CID 44448747
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butyl]-5-methyl-1H-imidazole-2-carboxamide
CID 130431340
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(3-chlorophenyl)methyl]propanamide
CID 16009054
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 20867287
2-(4-Chlorophenyl)-8-[(3s)-Piperidin-3-Ylamino]imidazo[1,2-C]pyrimidine-5-Carboxamide
CID 72188683
2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide
CID 25066846
Ac-His-DPhe(pCl)-Arg-Trp-NH2
CID 25108215
Ac-Nle-Asp(1)-His-D-Phe(4-Cl)-Arg-D-Trp-D-Lys(1)-NH2
CID 44343363

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 44532664) is 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CN1CCC(NCc2cnc(-c3ccc(Cl)cc3)[nH]2)CC1)N1CCc2ccccc21.
What is the InChIKey of 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is NJJZUIYQYQFMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O/c26-20-7-5-19(6-8-20)25-28-16-22(29-25)15-27-21-10-12-30(13-11-21)17-24(32)31-14-9-18-3-1-2-4-23(18)31/h1-8,16,21,27H,9-15,17H2,(H,28,29).
What are the key properties of 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 449.99 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 44532664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).