2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide

C24H26N6O — CID 59924879

IUPAC2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide
SMILESC[C@H](Nc1nccc(-n2cnc3cc(NC(=O)C(C)(C)C)ccc32)n1)c1ccccc1
InChIInChI=1S/C24H26N6O/c1-16(17-8-6-5-7-9-17)27-23-25-13-12-21(29-23)30-15-26-19-14-18(10-11-20(19)30)28-22(31)24(2,3)4/h5-16H,1-4H3,(H,28,31)(H,25,27,29)/t16-/m0/s1
InChIKeyPBUZJYWLQRMSBT-INIZCTEOSA-N
MW414.51 g/mol
LogP4.97
Rot. Bonds5

About 2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide

2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide (PubChem CID 59924879) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide
PubChem CID59924879
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide
SMILESC[C@H](Nc1nccc(-n2cnc3cc(NC(=O)C(C)(C)C)ccc32)n1)c1ccccc1
InChIInChI=1S/C24H26N6O/c1-16(17-8-6-5-7-9-17)27-23-25-13-12-21(29-23)30-15-26-19-14-18(10-11-20(19)30)28-22(31)24(2,3)4/h5-16H,1-4H3,(H,28,31)(H,25,27,29)/t16-/m0/s1
InChIKeyPBUZJYWLQRMSBT-INIZCTEOSA-N
XLogP4.97
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide with MolForge

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Related Compounds

N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide
CID 59924831
(E)-3-phenyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide
CID 59924894
N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]thiophene-2-carboxamide
CID 18342827
2,2-dimethyl-N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]propanamide
CID 10476898
N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 18342799
N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]formamide
CID 142035754
N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-1H-indole-2-carboxamide
CID 18375836
N-dimethoxyphosphoryl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-amine
CID 59924948
N-[4-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]pyrimidin-2-yl]acetamide
CID 18342777
4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924945
4-(5-nitrobenzimidazol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375448
benzyl (2S)-2-[[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 18342821

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide (CID 59924879) is 2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide is C[C@H](Nc1nccc(-n2cnc3cc(NC(=O)C(C)(C)C)ccc32)n1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide?
The InChIKey is PBUZJYWLQRMSBT-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26N6O/c1-16(17-8-6-5-7-9-17)27-23-25-13-12-21(29-23)30-15-26-19-14-18(10-11-20(19)30)28-22(31)24(2,3)4/h5-16H,1-4H3,(H,28,31)(H,25,27,29)/t16-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide?
2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide has a molecular weight of 414.51 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide is sourced from PubChem (CID 59924879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).