N-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide

C25H23N5O — CID 57220820

IUPACN-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide
SMILESCN(C(=O)Cc1ccccc1)c1ccc2c(c1)nc(C(N)c1ccc(C#N)cc1)n2C
InChIInChI=1S/C25H23N5O/c1-29(23(31)14-17-6-4-3-5-7-17)20-12-13-22-21(15-20)28-25(30(22)2)24(27)19-10-8-18(16-26)9-11-19/h3-13,15,24H,14,27H2,1-2H3
InChIKeyYHHWRDJGUBCALL-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.70
Rot. Bonds5

About N-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide

N-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide (PubChem CID 57220820) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide
PubChem CID57220820
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC NameN-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide
SMILESCN(C(=O)Cc1ccccc1)c1ccc2c(c1)nc(C(N)c1ccc(C#N)cc1)n2C
InChIInChI=1S/C25H23N5O/c1-29(23(31)14-17-6-4-3-5-7-17)20-12-13-22-21(15-20)28-25(30(22)2)24(27)19-10-8-18(16-26)9-11-19/h3-13,15,24H,14,27H2,1-2H3
InChIKeyYHHWRDJGUBCALL-UHFFFAOYSA-N
XLogP3.70
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[1-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-5-phenylpyrazol-3-yl]acetate
CID 57022814
(5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine
CID 54920059
2-amino-3-(5-cyano-1-methylbenzimidazol-2-yl)propanoic acid
CID 83440746
N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 62982241
ethyl 4-[[2-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl]amino]-3-oxobutanoate
CID 21193839
N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide
CID 28755638
N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 62981534
ethyl 3-(N-[2-[(4-cyanophenyl)methylsulfanyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate
CID 18412288
4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(2-phenylethyl)benzimidazol-2-yl]benzamide
CID 44588918
ethyl 3-[5-[benzenesulfonyl-[3-(dimethylamino)propyl]amino]-2-[(4-cyanophenyl)methyl]benzimidazol-1-yl]propanoate
CID 54504423
2-(4-cyanophenyl)-N-methyl-N-(2-methylphenyl)acetamide
CID 63613721
ethyl 3-(N-[2-[(4-cyano-N-methylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate
CID 18412672

Frequently Asked Questions

What is the IUPAC name of N-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide?
The IUPAC name of N-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide (CID 57220820) is N-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide?
The canonical SMILES for N-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide is CN(C(=O)Cc1ccccc1)c1ccc2c(c1)nc(C(N)c1ccc(C#N)cc1)n2C.
What is the InChIKey of N-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide?
The InChIKey is YHHWRDJGUBCALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-29(23(31)14-17-6-4-3-5-7-17)20-12-13-22-21(15-20)28-25(30(22)2)24(27)19-10-8-18(16-26)9-11-19/h3-13,15,24H,14,27H2,1-2H3.
What are the key properties of N-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide?
N-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide has a molecular weight of 409.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 57220820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).