N,N-bis(1H-benzimidazol-2-ylmethyl)aniline

C22H19N5 — CID 66775276

IUPACN,N-bis(1H-benzimidazol-2-ylmethyl)aniline
SMILESc1ccc(N(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H19N5/c1-2-8-16(9-3-1)27(14-21-23-17-10-4-5-11-18(17)24-21)15-22-25-19-12-6-7-13-20(19)26-22/h1-13H,14-15H2,(H,23,24)(H,25,26)
InChIKeyIHJHSNDWEHYFIY-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.65
Rot. Bonds5

About N,N-bis(1H-benzimidazol-2-ylmethyl)aniline

N,N-bis(1H-benzimidazol-2-ylmethyl)aniline (PubChem CID 66775276) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is N,N-bis(1H-benzimidazol-2-ylmethyl)aniline.

Molecular Properties

Compound NameN,N-bis(1H-benzimidazol-2-ylmethyl)aniline
PubChem CID66775276
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC NameN,N-bis(1H-benzimidazol-2-ylmethyl)aniline
SMILESc1ccc(N(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H19N5/c1-2-8-16(9-3-1)27(14-21-23-17-10-4-5-11-18(17)24-21)15-22-25-19-12-6-7-13-20(19)26-22/h1-13H,14-15H2,(H,23,24)(H,25,26)
InChIKeyIHJHSNDWEHYFIY-UHFFFAOYSA-N
XLogP4.65
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1H-benzimidazol-2-ylmethyl)aniline?
The IUPAC name of N,N-bis(1H-benzimidazol-2-ylmethyl)aniline (CID 66775276) is N,N-bis(1H-benzimidazol-2-ylmethyl)aniline.
What is the SMILES notation for N,N-bis(1H-benzimidazol-2-ylmethyl)aniline?
The canonical SMILES for N,N-bis(1H-benzimidazol-2-ylmethyl)aniline is c1ccc(N(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N,N-bis(1H-benzimidazol-2-ylmethyl)aniline?
The InChIKey is IHJHSNDWEHYFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-2-8-16(9-3-1)27(14-21-23-17-10-4-5-11-18(17)24-21)15-22-25-19-12-6-7-13-20(19)26-22/h1-13H,14-15H2,(H,23,24)(H,25,26).
What are the key properties of N,N-bis(1H-benzimidazol-2-ylmethyl)aniline?
N,N-bis(1H-benzimidazol-2-ylmethyl)aniline has a molecular weight of 353.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1H-benzimidazol-2-ylmethyl)aniline is sourced from PubChem (CID 66775276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).