2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one

C19H21N5O2 — CID 126939505

IUPAC2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1COCC1Nc1nc3ccccc3[nH]1)CCCC2
InChIInChI=1S/C19H21N5O2/c25-18-9-12-5-1-2-6-13(12)23-24(18)17-11-26-10-16(17)22-19-20-14-7-3-4-8-15(14)21-19/h3-4,7-9,16-17H,1-2,5-6,10-11H2,(H2,20,21,22)
InChIKeyYLBRZCMWWISMAX-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.05
Rot. Bonds3

About 2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126939505) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126939505
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1COCC1Nc1nc3ccccc3[nH]1)CCCC2
InChIInChI=1S/C19H21N5O2/c25-18-9-12-5-1-2-6-13(12)23-24(18)17-11-26-10-16(17)22-19-20-14-7-3-4-8-15(14)21-19/h3-4,7-9,16-17H,1-2,5-6,10-11H2,(H2,20,21,22)
InChIKeyYLBRZCMWWISMAX-UHFFFAOYSA-N
XLogP2.05
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935715
2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939532
2-[4-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939655
2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939497
3-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]pyrazine-2-carbonitrile
CID 126939236
2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939386
2-[4-(pyrazin-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939235
2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939365
2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126939329
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 126939204
6-(dimethylamino)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]pyridazine-3-carboxamide
CID 126939455
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126939505) is 2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1C1COCC1Nc1nc3ccccc3[nH]1)CCCC2.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is YLBRZCMWWISMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-18-9-12-5-1-2-6-13(12)23-24(18)17-11-26-10-16(17)22-19-20-14-7-3-4-8-15(14)21-19/h3-4,7-9,16-17H,1-2,5-6,10-11H2,(H2,20,21,22).
What are the key properties of 2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 351.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126939505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).