3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide

C21H24N6O — CID 126423550

IUPAC3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide
SMILESCC[C@@H](NC(=O)CCc1nc2cc(C)c(C)cc2[nH]1)c1cn2cccnc2n1
InChIInChI=1S/C21H24N6O/c1-4-15(18-12-27-9-5-8-22-21(27)26-18)25-20(28)7-6-19-23-16-10-13(2)14(3)11-17(16)24-19/h5,8-12,15H,4,6-7H2,1-3H3,(H,23,24)(H,25,28)/t15-/m1/s1
InChIKeyZADSYLKIWKMBJE-OAHLLOKOSA-N
MW376.46 g/mol
LogP3.42
Rot. Bonds6

About 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide (PubChem CID 126423550) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide.

Molecular Properties

Compound Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide
PubChem CID126423550
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide
SMILESCC[C@@H](NC(=O)CCc1nc2cc(C)c(C)cc2[nH]1)c1cn2cccnc2n1
InChIInChI=1S/C21H24N6O/c1-4-15(18-12-27-9-5-8-22-21(27)26-18)25-20(28)7-6-19-23-16-10-13(2)14(3)11-17(16)24-19/h5,8-12,15H,4,6-7H2,1-3H3,(H,23,24)(H,25,28)/t15-/m1/s1
InChIKeyZADSYLKIWKMBJE-OAHLLOKOSA-N
XLogP3.42
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide
CID 99932489
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86285330
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 97136855
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 95895815
N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97133513
5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide
CID 99973548
3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide
CID 99933087
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
CID 126448508
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 99973207
N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 97124356
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-methyl-2-pyrrolidin-1-ylpropanamide
CID 126436371
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide
CID 86285049

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide?
The IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide (CID 126423550) is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide.
What is the SMILES notation for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide?
The canonical SMILES for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide is CC[C@@H](NC(=O)CCc1nc2cc(C)c(C)cc2[nH]1)c1cn2cccnc2n1.
What is the InChIKey of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide?
The InChIKey is ZADSYLKIWKMBJE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N6O/c1-4-15(18-12-27-9-5-8-22-21(27)26-18)25-20(28)7-6-19-23-16-10-13(2)14(3)11-17(16)24-19/h5,8-12,15H,4,6-7H2,1-3H3,(H,23,24)(H,25,28)/t15-/m1/s1.
What are the key properties of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide?
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide has a molecular weight of 376.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide is sourced from PubChem (CID 126423550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).