1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine

C22H26N6 — CID 70205884

IUPAC1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1CC1(Cn2c(N)nc3ccccc32)CCCCC1
InChIInChI=1S/C22H26N6/c23-20-25-16-8-2-4-10-18(16)27(20)14-22(12-6-1-7-13-22)15-28-19-11-5-3-9-17(19)26-21(28)24/h2-5,8-11H,1,6-7,12-15H2,(H2,23,25)(H2,24,26)
InChIKeyNAJFHOYFYHQNJF-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.20
Rot. Bonds4

About 1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine

1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine (PubChem CID 70205884) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine
PubChem CID70205884
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1CC1(Cn2c(N)nc3ccccc32)CCCCC1
InChIInChI=1S/C22H26N6/c23-20-25-16-8-2-4-10-18(16)27(20)14-22(12-6-1-7-13-22)15-28-19-11-5-3-9-17(19)26-21(28)24/h2-5,8-11H,1,6-7,12-15H2,(H2,23,25)(H2,24,26)
InChIKeyNAJFHOYFYHQNJF-UHFFFAOYSA-N
XLogP4.20
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine?
The IUPAC name of 1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine (CID 70205884) is 1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine?
The canonical SMILES for 1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine is Nc1nc2ccccc2n1CC1(Cn2c(N)nc3ccccc32)CCCCC1.
What is the InChIKey of 1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine?
The InChIKey is NAJFHOYFYHQNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c23-20-25-16-8-2-4-10-18(16)27(20)14-22(12-6-1-7-13-22)15-28-19-11-5-3-9-17(19)26-21(28)24/h2-5,8-11H,1,6-7,12-15H2,(H2,23,25)(H2,24,26).
What are the key properties of 1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine?
1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine has a molecular weight of 374.49 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine is sourced from PubChem (CID 70205884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).