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

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

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Related Compounds

Raf265
CID 11656518
5-methoxy-1H-benzimidazole
CID 78598
6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501
5-Substituted 1-Phenylbenzimidazole 15
CID 5328505
dimethyl({3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propyl})amine
CID 5328507
dimethyl({4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butyl})amine
CID 5328508
5-Substituted 1-Phenylbenzimidazole 19
CID 5328509
5-Substituted 1-Phenylbenzimidazole 20
CID 5328510

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).