1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone

C22H25N5O — CID 72925608

IUPAC1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone
SMILESCc1cnccc1N1CCCN(C(=O)Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C22H25N5O/c1-18-16-23-9-8-20(18)25-11-5-12-26(15-14-25)21(28)17-27-13-10-24-22(27)19-6-3-2-4-7-19/h2-4,6-10,13,16H,5,11-12,14-15,17H2,1H3
InChIKeyNXAFGFBNRNKNPB-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.99
Rot. Bonds4

About 1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone

1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone (PubChem CID 72925608) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone
PubChem CID72925608
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone
SMILESCc1cnccc1N1CCCN(C(=O)Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C22H25N5O/c1-18-16-23-9-8-20(18)25-11-5-12-26(15-14-25)21(28)17-27-13-10-24-22(27)19-6-3-2-4-7-19/h2-4,6-10,13,16H,5,11-12,14-15,17H2,1H3
InChIKeyNXAFGFBNRNKNPB-UHFFFAOYSA-N
XLogP2.99
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone with MolForge

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Related Compounds

1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-methylsulfanylethanone
CID 70756431
2-(1,3-dihydroisoindol-2-yl)-1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]ethanone;formic acid
CID 154911934
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70717959
1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one
CID 61071787
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 70715380
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 70752019
[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 91767375
2-[3-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 131934206
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 50969950
(3S,4R)-4-phenyl-1-[2-(2-phenylimidazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 70762017
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
N-[(3-methylphenyl)methyl]-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 119063057

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone?
The IUPAC name of 1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone (CID 72925608) is 1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone is Cc1cnccc1N1CCCN(C(=O)Cn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of 1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone?
The InChIKey is NXAFGFBNRNKNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-18-16-23-9-8-20(18)25-11-5-12-26(15-14-25)21(28)17-27-13-10-24-22(27)19-6-3-2-4-7-19/h2-4,6-10,13,16H,5,11-12,14-15,17H2,1H3.
What are the key properties of 1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone?
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone has a molecular weight of 375.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone is sourced from PubChem (CID 72925608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).