1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole

C17H24N4 — CID 20586211

IUPAC1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCn1c(Cc2nc3c(n2C)CCCC3)nc2c1CCCC2
InChIInChI=1S/C17H24N4/c1-20-14-9-5-3-7-12(14)18-16(20)11-17-19-13-8-4-6-10-15(13)21(17)2/h3-11H2,1-2H3
InChIKeyNORQGLUHCRXVGF-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.50
Rot. Bonds2

About 1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole

1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 20586211) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
PubChem CID20586211
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCn1c(Cc2nc3c(n2C)CCCC3)nc2c1CCCC2
InChIInChI=1S/C17H24N4/c1-20-14-9-5-3-7-12(14)18-16(20)11-17-19-13-8-4-6-10-15(13)21(17)2/h3-11H2,1-2H3
InChIKeyNORQGLUHCRXVGF-UHFFFAOYSA-N
XLogP2.50
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole with MolForge

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Related Compounds

1-methyl-2-(pyrrolidin-2-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride
CID 86767570
2-methyl-1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride
CID 86811707
2-Methyl-1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 81937502
Trifluoro-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]boranuide
CID 81939089
1-Methyl-2-(pyrrolidin-2-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 82112825
1-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-amine
CID 83382852
2-Methyl-1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazole
CID 113545276
1-(Difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626570
2-Methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole
CID 116626614
1-(2-Fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626639
1-(2,2-Difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626683
1-(3-Fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626721

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole (CID 20586211) is 1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole is Cn1c(Cc2nc3c(n2C)CCCC3)nc2c1CCCC2.
What is the InChIKey of 1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is NORQGLUHCRXVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20-14-9-5-3-7-12(14)18-16(20)11-17-19-13-8-4-6-10-15(13)21(17)2/h3-11H2,1-2H3.
What are the key properties of 1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 284.41 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 20586211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).