1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one

C23H21N3O2 — CID 39984194

IUPAC1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2ccccc21
InChIInChI=1S/C23H21N3O2/c1-24-21-12-6-7-13-22(21)26(23(24)28)15-16(27)14-25-19-10-4-2-8-17(19)18-9-3-5-11-20(18)25/h2-13,16,27H,14-15H2,1H3/t16-/m1/s1
InChIKeyWRDXCPDZMJLDQH-MRXNPFEDSA-N
MW371.44 g/mol
LogP3.51
Rot. Bonds4

About 1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one

1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one (PubChem CID 39984194) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
PubChem CID39984194
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2ccccc21
InChIInChI=1S/C23H21N3O2/c1-24-21-12-6-7-13-22(21)26(23(24)28)15-16(27)14-25-19-10-4-2-8-17(19)18-9-3-5-11-20(18)25/h2-13,16,27H,14-15H2,1H3/t16-/m1/s1
InChIKeyWRDXCPDZMJLDQH-MRXNPFEDSA-N
XLogP3.51
TPSA52.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-hydroxy-4-(3-methyl-2-oxobenzimidazol-1-yl)butanoate
CID 82776970
1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one
CID 115978272
2-(3-carbazol-9-yl-2-hydroxypropyl)isoindole-1,3-dione
CID 2851792
2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione
CID 991448
2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one
CID 166319763
1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 42947275
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
(3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one
CID 135134139
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 42890527
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one (CID 39984194) is 1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2ccccc21.
What is the InChIKey of 1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one?
The InChIKey is WRDXCPDZMJLDQH-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-24-21-12-6-7-13-22(21)26(23(24)28)15-16(27)14-25-19-10-4-2-8-17(19)18-9-3-5-11-20(18)25/h2-13,16,27H,14-15H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one?
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one has a molecular weight of 371.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 39984194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).