4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one

C19H24N6O3 — CID 166381511

IUPAC4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(C2CC2)nc1C(=O)N1C[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C[C@@H]21
InChIInChI=1S/C19H24N6O3/c1-9-15(22-16(20-9)11-3-4-11)18(27)25-7-12-5-6-24(8-13(12)25)17(26)14-10(2)21-19(28)23-14/h11-13H,3-8H2,1-2H3,(H,20,22)(H2,21,23,28)/t12-,13-/m0/s1
InChIKeyFDCANZKWNUHGRJ-STQMWFEESA-N
MW384.44 g/mol
LogP0.91
Rot. Bonds3

About 4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one

4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one (PubChem CID 166381511) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one
PubChem CID166381511
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(C2CC2)nc1C(=O)N1C[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C[C@@H]21
InChIInChI=1S/C19H24N6O3/c1-9-15(22-16(20-9)11-3-4-11)18(27)25-7-12-5-6-24(8-13(12)25)17(26)14-10(2)21-19(28)23-14/h11-13H,3-8H2,1-2H3,(H,20,22)(H2,21,23,28)/t12-,13-/m0/s1
InChIKeyFDCANZKWNUHGRJ-STQMWFEESA-N
XLogP0.91
TPSA117.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one (CID 166381511) is 4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one is Cc1[nH]c(C2CC2)nc1C(=O)N1C[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C[C@@H]21.
What is the InChIKey of 4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one?
The InChIKey is FDCANZKWNUHGRJ-STQMWFEESA-N. The full InChI is InChI=1S/C19H24N6O3/c1-9-15(22-16(20-9)11-3-4-11)18(27)25-7-12-5-6-24(8-13(12)25)17(26)14-10(2)21-19(28)23-14/h11-13H,3-8H2,1-2H3,(H,20,22)(H2,21,23,28)/t12-,13-/m0/s1.
What are the key properties of 4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one?
4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one has a molecular weight of 384.44 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,6S)-8-(2-cyclopropyl-5-methyl-1H-imidazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 166381511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).