5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine

C18H18N6O — CID 167666744

IUPAC5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1cccc2[nH]c(Nc3nnc(-c4ccc(N(C)C)cc4)o3)nc12
InChIInChI=1S/C18H18N6O/c1-11-5-4-6-14-15(11)20-17(19-14)21-18-23-22-16(25-18)12-7-9-13(10-8-12)24(2)3/h4-10H,1-3H3,(H2,19,20,21,23)
InChIKeySTFJLMGKHSPBRD-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.73
Rot. Bonds4

About 5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine

5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 167666744) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID167666744
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1cccc2[nH]c(Nc3nnc(-c4ccc(N(C)C)cc4)o3)nc12
InChIInChI=1S/C18H18N6O/c1-11-5-4-6-14-15(11)20-17(19-14)21-18-23-22-16(25-18)12-7-9-13(10-8-12)24(2)3/h4-10H,1-3H3,(H2,19,20,21,23)
InChIKeySTFJLMGKHSPBRD-UHFFFAOYSA-N
XLogP3.73
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
CID 167566063
5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 170607437
N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine
CID 143959541
5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine
CID 164938865
5-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 86058835
4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 101044631
N-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine
CID 175377554
4-(4-chloro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
CID 141349087
N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
CID 865622
N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine
CID 175670558
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
4-methyl-1H-benzimidazol-2-amine;trihydrate;trihydrochloride
CID 141030572

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine (CID 167666744) is 5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine is Cc1cccc2[nH]c(Nc3nnc(-c4ccc(N(C)C)cc4)o3)nc12.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is STFJLMGKHSPBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11-5-4-6-14-15(11)20-17(19-14)21-18-23-22-16(25-18)12-7-9-13(10-8-12)24(2)3/h4-10H,1-3H3,(H2,19,20,21,23).
What are the key properties of 5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine?
5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 334.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167666744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).