(4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone

C19H26N4O — CID 21275399

IUPAC(4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone
SMILESCCCCC1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)NC1
InChIInChI=1S/C19H26N4O/c1-2-3-5-16-6-4-12-23(21-14-16)19(24)17-7-9-18(10-8-17)22-13-11-20-15-22/h7-11,13,15-16,21H,2-6,12,14H2,1H3
InChIKeyRHRJFNJZUWAXFC-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.42
Rot. Bonds5

About (4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone

(4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone (PubChem CID 21275399) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone
PubChem CID21275399
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone
SMILESCCCCC1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)NC1
InChIInChI=1S/C19H26N4O/c1-2-3-5-16-6-4-12-23(21-14-16)19(24)17-7-9-18(10-8-17)22-13-11-20-15-22/h7-11,13,15-16,21H,2-6,12,14H2,1H3
InChIKeyRHRJFNJZUWAXFC-UHFFFAOYSA-N
XLogP3.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-4-imidazol-1-ylbenzamide
CID 59007499
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
(4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650241
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 129430226
1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea
CID 19778071
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
CID 38336531
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
(4-imidazol-1-ylphenyl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324252
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone
CID 72696904
N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 86920866

Frequently Asked Questions

What is the IUPAC name of (4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone?
The IUPAC name of (4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone (CID 21275399) is (4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone.
What is the SMILES notation for (4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone?
The canonical SMILES for (4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone is CCCCC1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)NC1.
What is the InChIKey of (4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone?
The InChIKey is RHRJFNJZUWAXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-3-5-16-6-4-12-23(21-14-16)19(24)17-7-9-18(10-8-17)22-13-11-20-15-22/h7-11,13,15-16,21H,2-6,12,14H2,1H3.
What are the key properties of (4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone?
(4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone has a molecular weight of 326.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone is sourced from PubChem (CID 21275399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).