N-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline

C21H18N4 — CID 89189689

IUPACN-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline
SMILESC=C(Nc1ccccc1C)c1cccc(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C21H18N4/c1-14-8-3-4-9-16(14)22-15(2)17-12-7-13-20(23-17)21-24-18-10-5-6-11-19(18)25-21/h3-13,22H,2H2,1H3,(H,24,25)
InChIKeyMYDPWKPZHUWDPJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.02
Rot. Bonds4

About N-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline

N-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline (PubChem CID 89189689) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline.

Molecular Properties

Compound NameN-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline
PubChem CID89189689
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline
SMILESC=C(Nc1ccccc1C)c1cccc(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C21H18N4/c1-14-8-3-4-9-16(14)22-15(2)17-12-7-13-20(23-17)21-24-18-10-5-6-11-19(18)25-21/h3-13,22H,2H2,1H3,(H,24,25)
InChIKeyMYDPWKPZHUWDPJ-UHFFFAOYSA-N
XLogP5.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
CID 68519685
6-(1H-benzimidazol-2-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 59406459
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
6-(1H-benzimidazol-2-yl)-N-methyl-N-phenylpyridine-2-carboxamide
CID 102164753
[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]methanone
CID 121299620
6-(1H-benzimidazol-2-yl)-N,N-dioctylpyridine-2-carboxamide
CID 102164752
4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide
CID 100577552
N-(2-methylphenyl)-1H-benzimidazol-2-amine
CID 923872
N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 22288832
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);terephthalic acid;tetrahydrate
CID 139060997
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline?
The IUPAC name of N-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline (CID 89189689) is N-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline.
What is the SMILES notation for N-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline?
The canonical SMILES for N-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline is C=C(Nc1ccccc1C)c1cccc(-c2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline?
The InChIKey is MYDPWKPZHUWDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-14-8-3-4-9-16(14)22-15(2)17-12-7-13-20(23-17)21-24-18-10-5-6-11-19(18)25-21/h3-13,22H,2H2,1H3,(H,24,25).
What are the key properties of N-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline?
N-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline has a molecular weight of 326.40 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline is sourced from PubChem (CID 89189689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).