ethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine

C26H30N6O — CID 91117791

IUPACethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine
SMILESCC.CC.Cn1c(Nc2ccccc2)nc2cc(Oc3ccnc(-c4ncc[nH]4)c3)ccc21
InChIInChI=1S/C22H18N6O.2C2H6/c1-28-20-8-7-16(13-18(20)27-22(28)26-15-5-3-2-4-6-15)29-17-9-10-23-19(14-17)21-24-11-12-25-21;2*1-2/h2-14H,1H3,(H,24,25)(H,26,27);2*1-2H3
InChIKeyBSMCRIMMXMVPSD-UHFFFAOYSA-N
MW442.57 g/mol
LogP6.95
Rot. Bonds5

About ethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine

ethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine (PubChem CID 91117791) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is ethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine.

Molecular Properties

Compound Nameethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine
PubChem CID91117791
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Nameethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine
SMILESCC.CC.Cn1c(Nc2ccccc2)nc2cc(Oc3ccnc(-c4ncc[nH]4)c3)ccc21
InChIInChI=1S/C22H18N6O.2C2H6/c1-28-20-8-7-16(13-18(20)27-22(28)26-15-5-3-2-4-6-15)29-17-9-10-23-19(14-17)21-24-11-12-25-21;2*1-2/h2-14H,1H3,(H,24,25)(H,26,27);2*1-2H3
InChIKeyBSMCRIMMXMVPSD-UHFFFAOYSA-N
XLogP6.95
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(6-chloro-1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 22040474
N-(4-fluorophenyl)-1-methyl-5-[[2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine
CID 21037358
5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine
CID 69290969
1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;sulfuric acid
CID 24788799
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile
CID 70839088
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
CID 89129994
CID 89129994
4-[1-methyl-2-(3-propan-2-yloxyanilino)benzimidazol-5-yl]oxypyridine-2-carbaldehyde
CID 91490598
N-(4-bromophenyl)-5-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]-1-methylbenzimidazol-2-amine
CID 21037353
N-methyl-4-[1-methyl-2-(3-phenylmethoxyanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040628
tert-butyl 4-[2-(4-fluoroanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxylate
CID 21037368
5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole
CID 141078961

Frequently Asked Questions

What is the IUPAC name of ethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine?
The IUPAC name of ethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine (CID 91117791) is ethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine.
What is the SMILES notation for ethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine?
The canonical SMILES for ethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine is CC.CC.Cn1c(Nc2ccccc2)nc2cc(Oc3ccnc(-c4ncc[nH]4)c3)ccc21.
What is the InChIKey of ethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine?
The InChIKey is BSMCRIMMXMVPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O.2C2H6/c1-28-20-8-7-16(13-18(20)27-22(28)26-15-5-3-2-4-6-15)29-17-9-10-23-19(14-17)21-24-11-12-25-21;2*1-2/h2-14H,1H3,(H,24,25)(H,26,27);2*1-2H3.
What are the key properties of ethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine?
ethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine has a molecular weight of 442.57 g/mol, XLogP of 6.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-phenylbenzimidazol-2-amine is sourced from PubChem (CID 91117791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).