4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

C25H33N7O — CID 135681802

IUPAC4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCCN(CC)CCCC(C)Nc1cc[nH]c(=O)c1-c1nc2c(C)cc(-n3ccnc3)cc2[nH]1
InChIInChI=1S/C25H33N7O/c1-5-31(6-2)12-7-8-18(4)28-20-9-10-27-25(33)22(20)24-29-21-15-19(32-13-11-26-16-32)14-17(3)23(21)30-24/h9-11,13-16,18H,5-8,12H2,1-4H3,(H,29,30)(H2,27,28,33)
InChIKeyZDWPRZVCZCGHFJ-UHFFFAOYSA-N
MW447.59 g/mol
LogP4.33
Rot. Bonds10

About 4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 135681802) has the molecular formula C25H33N7O and a molecular weight of 447.59 g/mol. Its IUPAC name is 4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID135681802
Molecular FormulaC25H33N7O
Molecular Weight447.59 g/mol
Exact Mass447.27
IUPAC Name4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCCN(CC)CCCC(C)Nc1cc[nH]c(=O)c1-c1nc2c(C)cc(-n3ccnc3)cc2[nH]1
InChIInChI=1S/C25H33N7O/c1-5-31(6-2)12-7-8-18(4)28-20-9-10-27-25(33)22(20)24-29-21-15-19(32-13-11-26-16-32)14-17(3)23(21)30-24/h9-11,13-16,18H,5-8,12H2,1-4H3,(H,29,30)(H2,27,28,33)
InChIKeyZDWPRZVCZCGHFJ-UHFFFAOYSA-N
XLogP4.33
TPSA94.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one with MolForge

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Related Compounds

Dovitinib
CID 135398510
Adibendan
CID 65867
3-[5-(1H-Imidazol-1-YL)-7-methyl-1H-benzimidazol-2-YL]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1H)-one
CID 135530418
N-(2-(n-isopropyl-N-methylamino)-1h-benzo[d]imidazol-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 9887476
3-ethyl-1-[6-(piperidin-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365983
1-(6-(4-(Cyclopropylcarbamoyl)-1H-imidazol-1-yl)-4-(pyridin-2-yl)-1H-benzo[d]imidazol-2-yl)-3-ethylurea
CID 24971306
N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]-6-phenylpyridine-3-carboxamide
CID 44143504
4-Amino-7-fluoro-3-[6-(4-methylpiperazinyl)benzimidazol-2-yl]hydroquinolin-2-one
CID 11682611
4-Amino-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,7-naphthyridin-2(1H)-one
CID 12988793
(S)-1-ethyl-3-(1-(2-(1-phenylethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-5-yl)imidazolidin-2-one
CID 18342784
N-(2-Cyanoethyl)-2-(1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)acetamide
CID 134611545
N-(2-Cyano-2-methylpropyl)-2-(1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)acetamide
CID 134611580

Frequently Asked Questions

What is the IUPAC name of 4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 135681802) is 4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is CCN(CC)CCCC(C)Nc1cc[nH]c(=O)c1-c1nc2c(C)cc(-n3ccnc3)cc2[nH]1.
What is the InChIKey of 4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is ZDWPRZVCZCGHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O/c1-5-31(6-2)12-7-8-18(4)28-20-9-10-27-25(33)22(20)24-29-21-15-19(32-13-11-26-16-32)14-17(3)23(21)30-24/h9-11,13-16,18H,5-8,12H2,1-4H3,(H,29,30)(H2,27,28,33).
What are the key properties of 4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 447.59 g/mol, XLogP of 4.33, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(diethylamino)pentan-2-ylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135681802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).