N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine

C22H21N3 — CID 44524235

IUPACN-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C22H21N3/c1-2-23-15-16-10-12-17(13-11-16)18-6-5-7-19(14-18)22-24-20-8-3-4-9-21(20)25-22/h3-14,23H,2,15H2,1H3,(H,24,25)
InChIKeyZDJZXSSMWJDRFE-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.01
Rot. Bonds5

About N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine

N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine (PubChem CID 44524235) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine
PubChem CID44524235
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC NameN-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C22H21N3/c1-2-23-15-16-10-12-17(13-11-16)18-6-5-7-19(14-18)22-24-20-8-3-4-9-21(20)25-22/h3-14,23H,2,15H2,1H3,(H,24,25)
InChIKeyZDJZXSSMWJDRFE-UHFFFAOYSA-N
XLogP5.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine (CID 44524235) is N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine is CCNCc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine?
The InChIKey is ZDJZXSSMWJDRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-2-23-15-16-10-12-17(13-11-16)18-6-5-7-19(14-18)22-24-20-8-3-4-9-21(20)25-22/h3-14,23H,2,15H2,1H3,(H,24,25).
What are the key properties of N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine?
N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine has a molecular weight of 327.43 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 44524235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).