2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

C17H20N6O — CID 91823103

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCc1cc(C)nc(NCC(=O)NCc2nc3ccccc3n2C)n1
InChIInChI=1S/C17H20N6O/c1-11-8-12(2)21-17(20-11)19-10-16(24)18-9-15-22-13-6-4-5-7-14(13)23(15)3/h4-8H,9-10H2,1-3H3,(H,18,24)(H,19,20,21)
InChIKeyCOKAIPNDTKHSPB-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.71
Rot. Bonds5

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 91823103) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
PubChem CID91823103
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCc1cc(C)nc(NCC(=O)NCc2nc3ccccc3n2C)n1
InChIInChI=1S/C17H20N6O/c1-11-8-12(2)21-17(20-11)19-10-16(24)18-9-15-22-13-6-4-5-7-14(13)23(15)3/h4-8H,9-10H2,1-3H3,(H,18,24)(H,19,20,21)
InChIKeyCOKAIPNDTKHSPB-UHFFFAOYSA-N
XLogP1.71
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 24583701
4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 60542277
N-[2-[(1-methylbenzimidazol-2-yl)methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 55408628
N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134012185
7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119834811
4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 27677632
3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 60528463
5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47161314
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (CID 91823103) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is Cc1cc(C)nc(NCC(=O)NCc2nc3ccccc3n2C)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is COKAIPNDTKHSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-8-12(2)21-17(20-11)19-10-16(24)18-9-15-22-13-6-4-5-7-14(13)23(15)3/h4-8H,9-10H2,1-3H3,(H,18,24)(H,19,20,21).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 324.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 91823103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).