4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline

C21H19N3O — CID 168555273

IUPAC4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline
SMILESCOc1ccc(N(C)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C21H19N3O/c1-24(17-11-13-18(25-2)14-12-17)16-9-7-15(8-10-16)21-22-19-5-3-4-6-20(19)23-21/h3-14H,1-2H3,(H,22,23)
InChIKeyLEAFFFJXTGFJCR-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.01
Rot. Bonds4

About 4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline

4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline (PubChem CID 168555273) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline
PubChem CID168555273
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline
SMILESCOc1ccc(N(C)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C21H19N3O/c1-24(17-11-13-18(25-2)14-12-17)16-9-7-15(8-10-16)21-22-19-5-3-4-6-20(19)23-21/h3-14H,1-2H3,(H,22,23)
InChIKeyLEAFFFJXTGFJCR-UHFFFAOYSA-N
XLogP5.01
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile
CID 168555272
4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
CID 90927480
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
5-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 171391802
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole
CID 2437616
2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol
CID 139235304
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-(3-methoxyphenyl)sulfanylphenyl]-1H-benzimidazole
CID 68837833

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline (CID 168555273) is 4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline is COc1ccc(N(C)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline?
The InChIKey is LEAFFFJXTGFJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-24(17-11-13-18(25-2)14-12-17)16-9-7-15(8-10-16)21-22-19-5-3-4-6-20(19)23-21/h3-14H,1-2H3,(H,22,23).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline?
4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline has a molecular weight of 329.40 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 168555273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).