2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole

C17H16N2O — CID 63590184

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(C3COc4ccccc4C3)[nH]c2c1
InChIInChI=1S/C17H16N2O/c1-11-6-7-14-15(8-11)19-17(18-14)13-9-12-4-2-3-5-16(12)20-10-13/h2-8,13H,9-10H2,1H3,(H,18,19)
InChIKeyDLZBOMOGNAPMBL-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.59
Rot. Bonds1

About 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole

2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole (PubChem CID 63590184) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole
PubChem CID63590184
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(C3COc4ccccc4C3)[nH]c2c1
InChIInChI=1S/C17H16N2O/c1-11-6-7-14-15(8-11)19-17(18-14)13-9-12-4-2-3-5-16(12)20-10-13/h2-8,13H,9-10H2,1H3,(H,18,19)
InChIKeyDLZBOMOGNAPMBL-UHFFFAOYSA-N
XLogP3.59
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole 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-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine
CID 55213366
(Z)-3-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]-4-iminobut-2-en-2-amine
CID 143822032
6-methyl-2-(oxolan-3-yl)-1H-benzimidazole
CID 61311575
2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole
CID 29256848
2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477946
2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile
CID 79004311
2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole
CID 63399500
2-(3,4-dihydro-2H-chromen-3-yl)-6-methylpyrimidin-4-amine
CID 65406183
2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole
CID 162444244
5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen
CID 163241870
2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole
CID 58164372
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol
CID 107126998

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole (CID 63590184) is 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole is Cc1ccc2nc(C3COc4ccccc4C3)[nH]c2c1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole?
The InChIKey is DLZBOMOGNAPMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-6-7-14-15(8-11)19-17(18-14)13-9-12-4-2-3-5-16(12)20-10-13/h2-8,13H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole?
2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole has a molecular weight of 264.33 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole is sourced from PubChem (CID 63590184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).