2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one

C16H16N4O — CID 10446387

IUPAC2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one
SMILESCc1c2n(c3ccccc13)C(=O)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C16H16N4O/c1-11-13-4-2-3-5-15(13)20-14(11)6-7-19(16(20)21)9-12-8-17-10-18-12/h2-5,8,10H,6-7,9H2,1H3,(H,17,18)
InChIKeyIVWXDLFCAPYOBW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.70
Rot. Bonds2

About 2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one

2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one (PubChem CID 10446387) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one
PubChem CID10446387
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one
SMILESCc1c2n(c3ccccc13)C(=O)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C16H16N4O/c1-11-13-4-2-3-5-15(13)20-14(11)6-7-19(16(20)21)9-12-8-17-10-18-12/h2-5,8,10H,6-7,9H2,1H3,(H,17,18)
InChIKeyIVWXDLFCAPYOBW-UHFFFAOYSA-N
XLogP2.70
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]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

Related Compounds

2-[1-(1H-imidazol-5-yl)ethyl]-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride
CID 19787131
3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride
CID 19787125
1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride
CID 67571881
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
CID 2099
10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one
CID 54016559
1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole
CID 59435409
1-(1H-imidazol-5-ylmethyl)quinolin-2-one
CID 22226593
1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015
5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
CID 18957726
1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 59468734
8-chloro-3-(1H-imidazol-5-ylmethyl)-2,5-dihydro-1H-3-benzazepin-4-one
CID 67394016
7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
CID 15051935

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one?
The IUPAC name of 2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one (CID 10446387) is 2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one?
The canonical SMILES for 2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one is Cc1c2n(c3ccccc13)C(=O)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of 2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one?
The InChIKey is IVWXDLFCAPYOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-13-4-2-3-5-15(13)20-14(11)6-7-19(16(20)21)9-12-8-17-10-18-12/h2-5,8,10H,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one?
2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one has a molecular weight of 280.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one is sourced from PubChem (CID 10446387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).