1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

C18H19N5O — CID 90640278

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESCc1nc2c([nH]1)CC(C(=O)N1CCn3c1nc1ccccc13)CC2
InChIInChI=1S/C18H19N5O/c1-11-19-13-7-6-12(10-15(13)20-11)17(24)23-9-8-22-16-5-3-2-4-14(16)21-18(22)23/h2-5,12H,6-10H2,1H3,(H,19,20)
InChIKeyDCFLNJMFPFSCQL-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.22
Rot. Bonds1

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (PubChem CID 90640278) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
PubChem CID90640278
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESCc1nc2c([nH]1)CC(C(=O)N1CCn3c1nc1ccccc13)CC2
InChIInChI=1S/C18H19N5O/c1-11-19-13-7-6-12(10-15(13)20-11)17(24)23-9-8-22-16-5-3-2-4-14(16)21-18(22)23/h2-5,12H,6-10H2,1H3,(H,19,20)
InChIKeyDCFLNJMFPFSCQL-UHFFFAOYSA-N
XLogP2.22
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone
CID 90640304
N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640412
1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-2-phenoxyethanone
CID 112820521
N-(4-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640425
(4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 90640322
N-(2-carbamoylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640444
1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 112844277
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone
CID 791787
N-(2-chlorophenyl)-2-[4-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)piperazin-1-yl]acetamide
CID 75452018
2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628425
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 90603946
N-(2,3-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640466

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (CID 90640278) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is Cc1nc2c([nH]1)CC(C(=O)N1CCn3c1nc1ccccc13)CC2.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The InChIKey is DCFLNJMFPFSCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-19-13-7-6-12(10-15(13)20-11)17(24)23-9-8-22-16-5-3-2-4-14(16)21-18(22)23/h2-5,12H,6-10H2,1H3,(H,19,20).
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 90640278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).