4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one

C18H29N5O3 — CID 134705172

IUPAC4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCOCCn1ccnc1CN1CCCN(C(=O)C2CC(=O)N(C)C2)CC1
InChIInChI=1S/C18H29N5O3/c1-20-13-15(12-17(20)24)18(25)23-6-3-5-21(8-9-23)14-16-19-4-7-22(16)10-11-26-2/h4,7,15H,3,5-6,8-14H2,1-2H3
InChIKeyJVTLCUZFFZQUKN-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.04
Rot. Bonds6

About 4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one

4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 134705172) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID134705172
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCOCCn1ccnc1CN1CCCN(C(=O)C2CC(=O)N(C)C2)CC1
InChIInChI=1S/C18H29N5O3/c1-20-13-15(12-17(20)24)18(25)23-6-3-5-21(8-9-23)14-16-19-4-7-22(16)10-11-26-2/h4,7,15H,3,5-6,8-14H2,1-2H3
InChIKeyJVTLCUZFFZQUKN-UHFFFAOYSA-N
XLogP0.04
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one with MolForge

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Related Compounds

(4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94092850
1-(2-methoxyethyl)-4-[4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 50980050
(4S)-4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-methylpyrrolidin-2-one
CID 94092803
1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone
CID 134702451
4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 77092818
[(1R)-cyclohex-3-en-1-yl]-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 95325754
2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid
CID 43521272
2-[[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 99929250
(4R)-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 35697880
4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 156603463
1-(4-chlorophenyl)-4-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 90561640

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one (CID 134705172) is 4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one is COCCn1ccnc1CN1CCCN(C(=O)C2CC(=O)N(C)C2)CC1.
What is the InChIKey of 4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is JVTLCUZFFZQUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-20-13-15(12-17(20)24)18(25)23-6-3-5-21(8-9-23)14-16-19-4-7-22(16)10-11-26-2/h4,7,15H,3,5-6,8-14H2,1-2H3.
What are the key properties of 4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one?
4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 363.46 g/mol, XLogP of 0.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 134705172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).