(3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C19H28N4O — CID 92590755

IUPAC(3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESCCCn1c(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)nc2ccccc21
InChIInChI=1S/C19H28N4O/c1-3-8-23-18-7-5-4-6-17(18)20-19(23)13-21-11-15-9-16(24)12-22(15)10-14(21)2/h4-7,14-16,24H,3,8-13H2,1-2H3/t14-,15-,16-/m1/s1
InChIKeyFEJRJQUCGORUBE-BZUAXINKSA-N
MW328.46 g/mol
LogP2.09
Rot. Bonds4

About (3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

(3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 92590755) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID92590755
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESCCCn1c(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)nc2ccccc21
InChIInChI=1S/C19H28N4O/c1-3-8-23-18-7-5-4-6-17(18)20-19(23)13-21-11-15-9-16(24)12-22(15)10-14(21)2/h4-7,14-16,24H,3,8-13H2,1-2H3/t14-,15-,16-/m1/s1
InChIKeyFEJRJQUCGORUBE-BZUAXINKSA-N
XLogP2.09
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol with MolForge

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Related Compounds

2-[[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-1-propylbenzimidazole
CID 95792196
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
1-methyl-2-[[(1S,4S)-5-[(1-methylbenzimidazol-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzimidazole
CID 102484209
1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 79753236
3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol
CID 82311802
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742
2-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750412
(3aS,6aR)-5-[(1-butylbenzimidazol-2-yl)methyl-methylamino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol
CID 135093357
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
(3S,7R)-3-methyl-2-[(4-methylsulfanylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110225834

Frequently Asked Questions

What is the IUPAC name of (3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 92590755) is (3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is CCCn1c(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)nc2ccccc21.
What is the InChIKey of (3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is FEJRJQUCGORUBE-BZUAXINKSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-8-23-18-7-5-4-6-17(18)20-19(23)13-21-11-15-9-16(24)12-22(15)10-14(21)2/h4-7,14-16,24H,3,8-13H2,1-2H3/t14-,15-,16-/m1/s1.
What are the key properties of (3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 328.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 92590755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).