N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine

C23H19N5 — CID 44569196

IUPACN-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine
SMILESc1ccc(C(c2ccc(Nc3nc4ccccc4[nH]3)cc2)n2ccnc2)cc1
InChIInChI=1S/C23H19N5/c1-2-6-17(7-3-1)22(28-15-14-24-16-28)18-10-12-19(13-11-18)25-23-26-20-8-4-5-9-21(20)27-23/h1-16,22H,(H2,25,26,27)
InChIKeyZZMMQVBQBSLCLI-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.14
Rot. Bonds5

About N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine

N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine (PubChem CID 44569196) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine
PubChem CID44569196
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC NameN-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine
SMILESc1ccc(C(c2ccc(Nc3nc4ccccc4[nH]3)cc2)n2ccnc2)cc1
InChIInChI=1S/C23H19N5/c1-2-6-17(7-3-1)22(28-15-14-24-16-28)18-10-12-19(13-11-18)25-23-26-20-8-4-5-9-21(20)27-23/h1-16,22H,(H2,25,26,27)
InChIKeyZZMMQVBQBSLCLI-UHFFFAOYSA-N
XLogP5.14
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine (CID 44569196) is N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine is c1ccc(C(c2ccc(Nc3nc4ccccc4[nH]3)cc2)n2ccnc2)cc1.
What is the InChIKey of N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine?
The InChIKey is ZZMMQVBQBSLCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-2-6-17(7-3-1)22(28-15-14-24-16-28)18-10-12-19(13-11-18)25-23-26-20-8-4-5-9-21(20)27-23/h1-16,22H,(H2,25,26,27).
What are the key properties of N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine?
N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine has a molecular weight of 365.44 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 44569196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).