N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide

C21H20N6O — CID 170970468

IUPACN-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(Nc2nccc(-c3ccc4nc[nH]c4c3)n2)c1
InChIInChI=1S/C21H20N6O/c1-13(2)20(28)25-15-4-3-5-16(11-15)26-21-22-9-8-17(27-21)14-6-7-18-19(10-14)24-12-23-18/h3-13H,1-2H3,(H,23,24)(H,25,28)(H,22,26,27)
InChIKeyWRCYNIAMVWYIKB-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.36
Rot. Bonds5

About N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide

N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide (PubChem CID 170970468) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide
PubChem CID170970468
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(Nc2nccc(-c3ccc4nc[nH]c4c3)n2)c1
InChIInChI=1S/C21H20N6O/c1-13(2)20(28)25-15-4-3-5-16(11-15)26-21-22-9-8-17(27-21)14-6-7-18-19(10-14)24-12-23-18/h3-13H,1-2H3,(H,23,24)(H,25,28)(H,22,26,27)
InChIKeyWRCYNIAMVWYIKB-UHFFFAOYSA-N
XLogP4.36
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 170970809
4-(3H-benzimidazol-5-yl)-N-[3-(trifluoromethylsulfinyl)phenyl]pyrimidin-2-amine
CID 170970839
S-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]thiohydroxylamine
CID 170970796
4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 170970601
4-(3H-benzimidazol-5-yl)-N-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
CID 170970687
1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethanone
CID 67365361
3-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]benzamide
CID 59588181
4-(1H-imidazo[4,5-b]pyridin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 170970519
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 170970828
propan-2-yl 3-[[4-(2-chloro-4-pyridinyl)pyrimidin-2-yl]amino]benzoate
CID 19711154
N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide
CID 73345816

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide (CID 170970468) is N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(Nc2nccc(-c3ccc4nc[nH]c4c3)n2)c1.
What is the InChIKey of N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide?
The InChIKey is WRCYNIAMVWYIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-13(2)20(28)25-15-4-3-5-16(11-15)26-21-22-9-8-17(27-21)14-6-7-18-19(10-14)24-12-23-18/h3-13H,1-2H3,(H,23,24)(H,25,28)(H,22,26,27).
What are the key properties of N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide?
N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide has a molecular weight of 372.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 170970468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).