1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone

C29H35N5O2 — CID 155312962

IUPAC1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCNc1ccc(C2CN(C(=O)c3ccc(C)c(-c4nc(C5CCN(C(C)=O)CC5)[nH]c4C)c3)C2)cc1
InChIInChI=1S/C29H35N5O2/c1-18-5-6-23(29(36)34-16-24(17-34)21-7-9-25(30-4)10-8-21)15-26(18)27-19(2)31-28(32-27)22-11-13-33(14-12-22)20(3)35/h5-10,15,22,24,30H,11-14,16-17H2,1-4H3,(H,31,32)
InChIKeyABUHYLYDKGPQFR-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.70
Rot. Bonds5

About 1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone

1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 155312962) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID155312962
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCNc1ccc(C2CN(C(=O)c3ccc(C)c(-c4nc(C5CCN(C(C)=O)CC5)[nH]c4C)c3)C2)cc1
InChIInChI=1S/C29H35N5O2/c1-18-5-6-23(29(36)34-16-24(17-34)21-7-9-25(30-4)10-8-21)15-26(18)27-19(2)31-28(32-27)22-11-13-33(14-12-22)20(3)35/h5-10,15,22,24,30H,11-14,16-17H2,1-4H3,(H,31,32)
InChIKeyABUHYLYDKGPQFR-UHFFFAOYSA-N
XLogP4.70
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[3-[2-(1-tert-butylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-4-methylbenzoyl]azetidin-3-yl]benzonitrile
CID 118171141
[2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone
CID 155312902
[2,4-dimethyl-5-[5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]phenyl]-[3-[4-(methylamino)phenyl]azetidin-1-yl]methanone
CID 148598739
2-[5-chloro-4-[2-methyl-5-[4-[4-(methylamino)phenyl]piperidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]acetonitrile
CID 155312907
[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone
CID 176753163
[3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone
CID 123580904
4-[1-[3-[2-(4-hydroxyoxan-4-yl)-5-methyl-1H-imidazol-4-yl]-4-methylbenzoyl]azetidin-3-yl]benzonitrile
CID 90030114
[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone
CID 90030559
[3-(5-chloro-2-propan-2-yl-1H-imidazol-4-yl)-4-methylphenyl]-[3-(4-nitrophenyl)azetidin-1-yl]methanone
CID 135368754
4-[1-[3-(2-cyclopropyl-1H-imidazol-5-yl)-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 176753146
4-[1-[4-chloro-3-(2,5-dimethyl-1H-imidazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile
CID 90030314
1-[2-[5-[4-(4-ethynylphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 89089944

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone (CID 155312962) is 1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone is CNc1ccc(C2CN(C(=O)c3ccc(C)c(-c4nc(C5CCN(C(C)=O)CC5)[nH]c4C)c3)C2)cc1.
What is the InChIKey of 1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is ABUHYLYDKGPQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-18-5-6-23(29(36)34-16-24(17-34)21-7-9-25(30-4)10-8-21)15-26(18)27-19(2)31-28(32-27)22-11-13-33(14-12-22)20(3)35/h5-10,15,22,24,30H,11-14,16-17H2,1-4H3,(H,31,32).
What are the key properties of 1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 485.63 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 155312962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).