3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one

C17H17N3O — CID 2802909

IUPAC3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one
SMILESCn1c2c(c3ccccc31)C(=O)C(Cn1ccnc1)CC2
InChIInChI=1S/C17H17N3O/c1-19-14-5-3-2-4-13(14)16-15(19)7-6-12(17(16)21)10-20-9-8-18-11-20/h2-5,8-9,11-12H,6-7,10H2,1H3
InChIKeyKPSGSRBENRBWPG-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.82
Rot. Bonds2

About 3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one

3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one (PubChem CID 2802909) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one
PubChem CID2802909
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one
SMILESCn1c2c(c3ccccc31)C(=O)C(Cn1ccnc1)CC2
InChIInChI=1S/C17H17N3O/c1-19-14-5-3-2-4-13(14)16-15(19)7-6-12(17(16)21)10-20-9-8-18-11-20/h2-5,8-9,11-12H,6-7,10H2,1H3
InChIKeyKPSGSRBENRBWPG-UHFFFAOYSA-N
XLogP2.82
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one?
The IUPAC name of 3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one (CID 2802909) is 3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one is Cn1c2c(c3ccccc31)C(=O)C(Cn1ccnc1)CC2.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one?
The InChIKey is KPSGSRBENRBWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-19-14-5-3-2-4-13(14)16-15(19)7-6-12(17(16)21)10-20-9-8-18-11-20/h2-5,8-9,11-12H,6-7,10H2,1H3.
What are the key properties of 3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one?
3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one has a molecular weight of 279.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 2802909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).