azepan-1-yl-(1-methylimidazol-2-yl)methanone

C11H17N3O — CID 78994199

IUPACazepan-1-yl-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCCCCC1
InChIInChI=1S/C11H17N3O/c1-13-9-6-12-10(13)11(15)14-7-4-2-3-5-8-14/h6,9H,2-5,7-8H2,1H3
InChIKeyRPJQHVKOSIXXAT-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.44
Rot. Bonds1

About azepan-1-yl-(1-methylimidazol-2-yl)methanone

azepan-1-yl-(1-methylimidazol-2-yl)methanone (PubChem CID 78994199) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is azepan-1-yl-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(1-methylimidazol-2-yl)methanone
PubChem CID78994199
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Nameazepan-1-yl-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCCCCC1
InChIInChI=1S/C11H17N3O/c1-13-9-6-12-10(13)11(15)14-7-4-2-3-5-8-14/h6,9H,2-5,7-8H2,1H3
InChIKeyRPJQHVKOSIXXAT-UHFFFAOYSA-N
XLogP1.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 131929401
(1-methylimidazol-2-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 99945320
[4-(1-methylimidazole-2-carbonyl)-1,4-diazepan-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 134713959
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 124960013
(1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 95043516
[(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone
CID 31224741
(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110096423
1-[4-(1-methylimidazole-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridin-3-ylpropan-1-one
CID 134707300
(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124980175
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
CID 113284997
(5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 124820106
[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 70728724

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(1-methylimidazol-2-yl)methanone?
The IUPAC name of azepan-1-yl-(1-methylimidazol-2-yl)methanone (CID 78994199) is azepan-1-yl-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for azepan-1-yl-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for azepan-1-yl-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(1-methylimidazol-2-yl)methanone?
The InChIKey is RPJQHVKOSIXXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-9-6-12-10(13)11(15)14-7-4-2-3-5-8-14/h6,9H,2-5,7-8H2,1H3.
What are the key properties of azepan-1-yl-(1-methylimidazol-2-yl)methanone?
azepan-1-yl-(1-methylimidazol-2-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 78994199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).