2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one

C16H13N3O2 — CID 14994650

IUPAC2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one
SMILESCc1[nH]cnc1Cn1ccc2oc3ccccc3c2c1=O
InChIInChI=1S/C16H13N3O2/c1-10-12(18-9-17-10)8-19-7-6-14-15(16(19)20)11-4-2-3-5-13(11)21-14/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyWMDDOPSYCPTBES-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.83
Rot. Bonds2

About 2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one

2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one (PubChem CID 14994650) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one.

Molecular Properties

Compound Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one
PubChem CID14994650
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one
SMILESCc1[nH]cnc1Cn1ccc2oc3ccccc3c2c1=O
InChIInChI=1S/C16H13N3O2/c1-10-12(18-9-17-10)8-19-7-6-14-15(16(19)20)11-4-2-3-5-13(11)21-14/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyWMDDOPSYCPTBES-UHFFFAOYSA-N
XLogP2.83
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-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

3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one
CID 10421762
5,7-dichloro-2-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinolin-1-one
CID 10040903
but-2-enedioic acid;6-fluoro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]pyrido[4,3-b]indol-1-one
CID 70047521
2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one
CID 15026238
5-benzyl-2-methylfuro[3,2-c]pyridin-4-one
CID 118027012
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
CID 2099
1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane
CID 101485956
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 55114545
3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one
CID 79235474
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine
CID 30982079
3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride
CID 19787125
3,4-diethyl-[1]benzofuro[2,3-c]pyridine
CID 71723800

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one?
The IUPAC name of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one (CID 14994650) is 2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one.
What is the SMILES notation for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one?
The canonical SMILES for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one is Cc1[nH]cnc1Cn1ccc2oc3ccccc3c2c1=O.
What is the InChIKey of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one?
The InChIKey is WMDDOPSYCPTBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-12(18-9-17-10)8-19-7-6-14-15(16(19)20)11-4-2-3-5-13(11)21-14/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one?
2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one has a molecular weight of 279.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one is sourced from PubChem (CID 14994650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).