N-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine

C28H32N6 — CID 1253120

IUPACN-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine
SMILESCCN(CC)CCn1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C28H32N6/c1-3-32(4-2)18-19-33-25-16-10-9-15-24(25)31-28(33)29-20-27-30-23-14-8-11-17-26(23)34(27)21-22-12-6-5-7-13-22/h5-17H,3-4,18-21H2,1-2H3,(H,29,31)
InChIKeyAWZHEICVGLZJBJ-UHFFFAOYSA-N
MW452.61 g/mol
LogP5.39
Rot. Bonds10

About N-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine

N-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine (PubChem CID 1253120) has the molecular formula C28H32N6 and a molecular weight of 452.61 g/mol. Its IUPAC name is N-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine
PubChem CID1253120
Molecular FormulaC28H32N6
Molecular Weight452.61 g/mol
Exact Mass452.27
IUPAC NameN-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine
SMILESCCN(CC)CCn1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C28H32N6/c1-3-32(4-2)18-19-33-25-16-10-9-15-24(25)31-28(33)29-20-27-30-23-14-8-11-17-26(23)34(27)21-22-12-6-5-7-13-22/h5-17H,3-4,18-21H2,1-2H3,(H,29,31)
InChIKeyAWZHEICVGLZJBJ-UHFFFAOYSA-N
XLogP5.39
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.61
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine?
The IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine (CID 1253120) is N-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine.
What is the SMILES notation for N-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine?
The canonical SMILES for N-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine is CCN(CC)CCn1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine?
The InChIKey is AWZHEICVGLZJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6/c1-3-32(4-2)18-19-33-25-16-10-9-15-24(25)31-28(33)29-20-27-30-23-14-8-11-17-26(23)34(27)21-22-12-6-5-7-13-22/h5-17H,3-4,18-21H2,1-2H3,(H,29,31).
What are the key properties of N-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine?
N-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine has a molecular weight of 452.61 g/mol, XLogP of 5.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylbenzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 1253120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).