2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C18H25N5O — CID 126924917

IUPAC2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1CCn1ccnc1)CCCC2
InChIInChI=1S/C18H25N5O/c24-18-12-15-4-1-2-6-17(15)20-23(18)13-16-5-3-8-22(16)11-10-21-9-7-19-14-21/h7,9,12,14,16H,1-6,8,10-11,13H2
InChIKeyCQVVELBBVXWQMW-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.48
Rot. Bonds5

About 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126924917) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126924917
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1CCn1ccnc1)CCCC2
InChIInChI=1S/C18H25N5O/c24-18-12-15-4-1-2-6-17(15)20-23(18)13-16-5-3-8-22(16)11-10-21-9-7-19-14-21/h7,9,12,14,16H,1-6,8,10-11,13H2
InChIKeyCQVVELBBVXWQMW-UHFFFAOYSA-N
XLogP1.48
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[[1-(2-imidazol-1-ylethyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928767
2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925008
2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924945
2-[[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924526
2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924590
2-[[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925013
2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924363
2-[[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924882
2-[[1-(1,3-oxazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924840
2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925034
2-[[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924880
2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925868

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126924917) is 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1CC1CCCN1CCn1ccnc1)CCCC2.
What is the InChIKey of 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is CQVVELBBVXWQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c24-18-12-15-4-1-2-6-17(15)20-23(18)13-16-5-3-8-22(16)11-10-21-9-7-19-14-21/h7,9,12,14,16H,1-6,8,10-11,13H2.
What are the key properties of 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 327.43 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126924917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).