(6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C19H22N4O — CID 51495381

IUPAC(6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESCCC[C@@H]1c2cccn2CCN1C(=O)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C19H22N4O/c1-3-5-17-16-6-4-9-22(16)10-11-23(17)19(24)18-20-14-8-7-13(2)12-15(14)21-18/h4,6-9,12,17H,3,5,10-11H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyYGGBUMQBDUGJPL-QGZVFWFLSA-N
MW322.41 g/mol
LogP3.67
Rot. Bonds3

About (6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

(6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 51495381) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID51495381
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESCCC[C@@H]1c2cccn2CCN1C(=O)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C19H22N4O/c1-3-5-17-16-6-4-9-22(16)10-11-23(17)19(24)18-20-14-8-7-13(2)12-15(14)21-18/h4,6-9,12,17H,3,5,10-11H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyYGGBUMQBDUGJPL-QGZVFWFLSA-N
XLogP3.67
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 51495381) is (6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is CCC[C@@H]1c2cccn2CCN1C(=O)c1nc2ccc(C)cc2[nH]1.
What is the InChIKey of (6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is YGGBUMQBDUGJPL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-5-17-16-6-4-9-22(16)10-11-23(17)19(24)18-20-14-8-7-13(2)12-15(14)21-18/h4,6-9,12,17H,3,5,10-11H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
(6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 322.41 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 51495381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).