N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline

C26H21N3O — CID 135347401

IUPACN-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline
SMILESc1ccc(Oc2ccc(-c3ccccc3NCc3ccc4nc[nH]c4c3)cc2)cc1
InChIInChI=1S/C26H21N3O/c1-2-6-21(7-3-1)30-22-13-11-20(12-14-22)23-8-4-5-9-24(23)27-17-19-10-15-25-26(16-19)29-18-28-25/h1-16,18,27H,17H2,(H,28,29)
InChIKeyLIWGZXKJHRCRHB-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.63
Rot. Bonds6

About N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline

N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline (PubChem CID 135347401) has the molecular formula C26H21N3O and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline
PubChem CID135347401
Molecular FormulaC26H21N3O
Molecular Weight391.47 g/mol
Exact Mass391.17
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline
SMILESc1ccc(Oc2ccc(-c3ccccc3NCc3ccc4nc[nH]c4c3)cc2)cc1
InChIInChI=1S/C26H21N3O/c1-2-6-21(7-3-1)30-22-13-11-20(12-14-22)23-8-4-5-9-24(23)27-17-19-10-15-25-26(16-19)29-18-28-25/h1-16,18,27H,17H2,(H,28,29)
InChIKeyLIWGZXKJHRCRHB-UHFFFAOYSA-N
XLogP6.63
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline
CID 135347319
N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline
CID 135347469
N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine
CID 135347411
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine
CID 142440503
N-(3H-benzimidazol-5-ylmethyl)-2-(4-fluorophenyl)pyridin-3-amine
CID 135347418
[5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium
CID 59551873
N-benzyl-3H-benzimidazol-5-amine
CID 53441479
6-(4-ethylphenoxy)-1H-benzimidazole
CID 143445574
2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline
CID 140871795
6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole
CID 71235383
1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 141086275
N-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine
CID 139441135

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline (CID 135347401) is N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline is c1ccc(Oc2ccc(-c3ccccc3NCc3ccc4nc[nH]c4c3)cc2)cc1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline?
The InChIKey is LIWGZXKJHRCRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O/c1-2-6-21(7-3-1)30-22-13-11-20(12-14-22)23-8-4-5-9-24(23)27-17-19-10-15-25-26(16-19)29-18-28-25/h1-16,18,27H,17H2,(H,28,29).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline?
N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline has a molecular weight of 391.47 g/mol, XLogP of 6.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline is sourced from PubChem (CID 135347401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).