cyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

C16H26N4O — CID 91838772

IUPACcyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCCn1cncc1CN1CCCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C16H26N4O/c1-2-19-13-17-11-15(19)12-18-7-4-8-20(10-9-18)16(21)14-5-3-6-14/h11,13-14H,2-10,12H2,1H3
InChIKeyAFMXJYFDMKNJNX-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.74
Rot. Bonds4

About cyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

cyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 91838772) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is cyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID91838772
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Namecyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCCn1cncc1CN1CCCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C16H26N4O/c1-2-19-13-17-11-15(19)12-18-7-4-8-20(10-9-18)16(21)14-5-3-6-14/h11,13-14H,2-10,12H2,1H3
InChIKeyAFMXJYFDMKNJNX-UHFFFAOYSA-N
XLogP1.74
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-Cyclopropylacetyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97467200
N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]cyclobutanecarboxamide
CID 97467210
N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide
CID 97467211
N-[[8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]-N-methylacetamide
CID 97519364
Cyclopent-3-en-1-yl-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 98614601
8-[(3,5-dimethyl-4,5-dihydro-5-isoxazolyl)carbonyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
CID 56895666
cyclobutyl{3-[(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)methyl]-1-pyrrolidinyl}methanone
CID 110198062
cyclobutyl{3-[(1-isopropyl-5-methyl-1H-imidazol-2-yl)methyl]-1-pyrrolidinyl}methanone
CID 110198076
1-Cyclobutanecarbonyl-3-(2-cyclopropyl-5-methyl-1H-imidazol-1-YL)piperidine
CID 110198087
1-[4-(2-Cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 110198108
3-Methyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]pyrrolidin-1-yl]butan-1-one
CID 124046143
N-[2-(5-Methyl-1-propyl-1H-imidazol-2-YL)ethyl]cyclobutanecarboxamide
CID 124078803

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone (CID 91838772) is cyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone is CCn1cncc1CN1CCCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is AFMXJYFDMKNJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-19-13-17-11-15(19)12-18-7-4-8-20(10-9-18)16(21)14-5-3-6-14/h11,13-14H,2-10,12H2,1H3.
What are the key properties of cyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone?
cyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[(3-ethylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 91838772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).