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

C21H36N4 — CID 91110578

IUPACethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCC.CC.Cn1c(Cc2nc3c(n2C)CCCC3)nc2c1CCCC2
InChIInChI=1S/C17H24N4.2C2H6/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;2*1-2/h3-11H2,1-2H3;2*1-2H3
InChIKeySBYNJRSWBOCWKH-UHFFFAOYSA-N
MW344.55 g/mol
LogP4.55
Rot. Bonds2

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

ethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 91110578) has the molecular formula C21H36N4 and a molecular weight of 344.55 g/mol. Its IUPAC name is ethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Nameethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
PubChem CID91110578
Molecular FormulaC21H36N4
Molecular Weight344.55 g/mol
Exact Mass344.29
IUPAC Nameethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCC.CC.Cn1c(Cc2nc3c(n2C)CCCC3)nc2c1CCCC2
InChIInChI=1S/C17H24N4.2C2H6/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;2*1-2/h3-11H2,1-2H3;2*1-2H3
InChIKeySBYNJRSWBOCWKH-UHFFFAOYSA-N
XLogP4.55
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of ethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole (CID 91110578) is ethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for ethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for ethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole is CC.CC.Cn1c(Cc2nc3c(n2C)CCCC3)nc2c1CCCC2.
What is the InChIKey of ethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is SBYNJRSWBOCWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.2C2H6/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;2*1-2/h3-11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
ethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 344.55 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 91110578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).