N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide

C24H26N6O — CID 46952044

IUPACN-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide
SMILESCc1cc(Nc2cccc(C(=O)NCCc3nc4cc(C)c(C)cc4[nH]3)c2)nc(C)n1
InChIInChI=1S/C24H26N6O/c1-14-10-20-21(11-15(14)2)30-22(29-20)8-9-25-24(31)18-6-5-7-19(13-18)28-23-12-16(3)26-17(4)27-23/h5-7,10-13H,8-9H2,1-4H3,(H,25,31)(H,29,30)(H,26,27,28)
InChIKeyYCOUYMIUMBMQFF-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.30
Rot. Bonds6

About N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide

N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide (PubChem CID 46952044) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide
PubChem CID46952044
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide
SMILESCc1cc(Nc2cccc(C(=O)NCCc3nc4cc(C)c(C)cc4[nH]3)c2)nc(C)n1
InChIInChI=1S/C24H26N6O/c1-14-10-20-21(11-15(14)2)30-22(29-20)8-9-25-24(31)18-6-5-7-19(13-18)28-23-12-16(3)26-17(4)27-23/h5-7,10-13H,8-9H2,1-4H3,(H,25,31)(H,29,30)(H,26,27,28)
InChIKeyYCOUYMIUMBMQFF-UHFFFAOYSA-N
XLogP4.30
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210
3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 56744624
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 77084249
N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797262
N-(2-acetamidoethyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808500
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136664785
4-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]butanoic acid
CID 108797173
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 118786104
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767873

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide (CID 46952044) is N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide is Cc1cc(Nc2cccc(C(=O)NCCc3nc4cc(C)c(C)cc4[nH]3)c2)nc(C)n1.
What is the InChIKey of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide?
The InChIKey is YCOUYMIUMBMQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-14-10-20-21(11-15(14)2)30-22(29-20)8-9-25-24(31)18-6-5-7-19(13-18)28-23-12-16(3)26-17(4)27-23/h5-7,10-13H,8-9H2,1-4H3,(H,25,31)(H,29,30)(H,26,27,28).
What are the key properties of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide?
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 46952044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).