4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one

C17H17N3O — CID 23043793

IUPAC4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one
SMILESCc1nccn1CC1Cc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C17H17N3O/c1-11-18-7-8-20(11)10-12-9-15-16(17(12)21)13-5-3-4-6-14(13)19(15)2/h3-8,12H,9-10H2,1-2H3
InChIKeySAAXSNSYBPTPKK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.74
Rot. Bonds2

About 4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one

4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one (PubChem CID 23043793) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one.

Molecular Properties

Compound Name4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one
PubChem CID23043793
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one
SMILESCc1nccn1CC1Cc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C17H17N3O/c1-11-18-7-8-20(11)10-12-9-15-16(17(12)21)13-5-3-4-6-14(13)19(15)2/h3-8,12H,9-10H2,1-2H3
InChIKeySAAXSNSYBPTPKK-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one?
The IUPAC name of 4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one (CID 23043793) is 4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one.
What is the SMILES notation for 4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one?
The canonical SMILES for 4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one is Cc1nccn1CC1Cc2c(c3ccccc3n2C)C1=O.
What is the InChIKey of 4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one?
The InChIKey is SAAXSNSYBPTPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-18-7-8-20(11)10-12-9-15-16(17(12)21)13-5-3-4-6-14(13)19(15)2/h3-8,12H,9-10H2,1-2H3.
What are the key properties of 4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one?
4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one has a molecular weight of 279.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one is sourced from PubChem (CID 23043793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).