2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole

C31H32N6O2 — CID 157304074

IUPAC2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
SMILESCc1nc2c3c(ccc2[nH]1)CCC3.Cc1nc2c3c(ccc2[nH]1)OCC3.Cc1nc2cc3c(cc2[nH]1)CCO3
InChIInChI=1S/C11H12N2.2C10H10N2O/c1-7-12-10-6-5-8-3-2-4-9(8)11(10)13-7;1-6-11-8-4-7-2-3-13-10(7)5-9(8)12-6;1-6-11-8-2-3-9-7(4-5-13-9)10(8)12-6/h5-6H,2-4H2,1H3,(H,12,13);4-5H,2-3H2,1H3,(H,11,12);2-3H,4-5H2,1H3,(H,11,12)
InChIKeyBCFYBANYKNDFQC-UHFFFAOYSA-N
MW520.64 g/mol
LogP5.97
Rot. Bonds

About 2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole

2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole (PubChem CID 157304074) has the molecular formula C31H32N6O2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole.

Molecular Properties

Compound Name2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
PubChem CID157304074
Molecular FormulaC31H32N6O2
Molecular Weight520.64 g/mol
Exact Mass520.26
IUPAC Name2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
SMILESCc1nc2c3c(ccc2[nH]1)CCC3.Cc1nc2c3c(ccc2[nH]1)OCC3.Cc1nc2cc3c(cc2[nH]1)CCO3
InChIInChI=1S/C11H12N2.2C10H10N2O/c1-7-12-10-6-5-8-3-2-4-9(8)11(10)13-7;1-6-11-8-4-7-2-3-13-10(7)5-9(8)12-6;1-6-11-8-2-3-9-7(4-5-13-9)10(8)12-6/h5-6H,2-4H2,1H3,(H,12,13);4-5H,2-3H2,1H3,(H,11,12);2-3H,4-5H2,1H3,(H,11,12)
InChIKeyBCFYBANYKNDFQC-UHFFFAOYSA-N
XLogP5.97
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]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-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
CID 89393478
2-methyl-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 18525449
N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine
CID 23423812
2-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-1H-imidazo[4,5-b]pyridine
CID 67717428
7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole
CID 134174901
bis(2,6-dimethyl-3H-benzo[f]benzimidazole);bis(2,8-dimethyl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole)
CID 157252523
2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole
CID 89393480
2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349089
(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 59604993
6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 170503224
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
ethane;8-ethyl-2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazole
CID 142874253

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole?
The IUPAC name of 2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole (CID 157304074) is 2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole.
What is the SMILES notation for 2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole?
The canonical SMILES for 2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole is Cc1nc2c3c(ccc2[nH]1)CCC3.Cc1nc2c3c(ccc2[nH]1)OCC3.Cc1nc2cc3c(cc2[nH]1)CCO3.
What is the InChIKey of 2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole?
The InChIKey is BCFYBANYKNDFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.2C10H10N2O/c1-7-12-10-6-5-8-3-2-4-9(8)11(10)13-7;1-6-11-8-4-7-2-3-13-10(7)5-9(8)12-6;1-6-11-8-2-3-9-7(4-5-13-9)10(8)12-6/h5-6H,2-4H2,1H3,(H,12,13);4-5H,2-3H2,1H3,(H,11,12);2-3H,4-5H2,1H3,(H,11,12).
What are the key properties of 2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole?
2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole has a molecular weight of 520.64 g/mol, XLogP of 5.97, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole is sourced from PubChem (CID 157304074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).