3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol

C19H21N3O — CID 94778853

IUPAC3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol
SMILESCn1c(-c2ccccc2)nc2cc3c(cc21)CN(CCCO)C3
InChIInChI=1S/C19H21N3O/c1-21-18-11-16-13-22(8-5-9-23)12-15(16)10-17(18)20-19(21)14-6-3-2-4-7-14/h2-4,6-7,10-11,23H,5,8-9,12-13H2,1H3
InChIKeyLPJZZMZDTXTFQU-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.94
Rot. Bonds4

About 3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol

3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol (PubChem CID 94778853) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol
PubChem CID94778853
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol
SMILESCn1c(-c2ccccc2)nc2cc3c(cc21)CN(CCCO)C3
InChIInChI=1S/C19H21N3O/c1-21-18-11-16-13-22(8-5-9-23)12-15(16)10-17(18)20-19(21)14-6-3-2-4-7-14/h2-4,6-7,10-11,23H,5,8-9,12-13H2,1H3
InChIKeyLPJZZMZDTXTFQU-UHFFFAOYSA-N
XLogP2.94
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol?
The IUPAC name of 3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol (CID 94778853) is 3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol.
What is the SMILES notation for 3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol?
The canonical SMILES for 3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol is Cn1c(-c2ccccc2)nc2cc3c(cc21)CN(CCCO)C3.
What is the InChIKey of 3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol?
The InChIKey is LPJZZMZDTXTFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-21-18-11-16-13-22(8-5-9-23)12-15(16)10-17(18)20-19(21)14-6-3-2-4-7-14/h2-4,6-7,10-11,23H,5,8-9,12-13H2,1H3.
What are the key properties of 3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol?
3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol has a molecular weight of 307.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)propan-1-ol is sourced from PubChem (CID 94778853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).