3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one

C23H25ClN8O2 — CID 154974903

IUPAC3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one
SMILESCc1nc(N[C@@H](C)c2cn(C(=O)c3ccc(Cl)cc3)cn2)nc(N2C(=O)N(C)CC2C2CC2)n1
InChIInChI=1S/C23H25ClN8O2/c1-13(18-10-31(12-25-18)20(33)16-6-8-17(24)9-7-16)26-21-27-14(2)28-22(29-21)32-19(15-4-5-15)11-30(3)23(32)34/h6-10,12-13,15,19H,4-5,11H2,1-3H3,(H,26,27,28,29)/t13-,19?/m0/s1
InChIKeyRTFIQVKIPYOIBJ-YTJLLHSVSA-N
MW480.96 g/mol
LogP3.54
Rot. Bonds6

About 3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one

3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one (PubChem CID 154974903) has the molecular formula C23H25ClN8O2 and a molecular weight of 480.96 g/mol. Its IUPAC name is 3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one
PubChem CID154974903
Molecular FormulaC23H25ClN8O2
Molecular Weight480.96 g/mol
Exact Mass480.18
IUPAC Name3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one
SMILESCc1nc(N[C@@H](C)c2cn(C(=O)c3ccc(Cl)cc3)cn2)nc(N2C(=O)N(C)CC2C2CC2)n1
InChIInChI=1S/C23H25ClN8O2/c1-13(18-10-31(12-25-18)20(33)16-6-8-17(24)9-7-16)26-21-27-14(2)28-22(29-21)32-19(15-4-5-15)11-30(3)23(32)34/h6-10,12-13,15,19H,4-5,11H2,1-3H3,(H,26,27,28,29)/t13-,19?/m0/s1
InChIKeyRTFIQVKIPYOIBJ-YTJLLHSVSA-N
XLogP3.54
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 154591504
(4S)-3-[4-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154960817
7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
CID 154975046
(5S)-5-cyclopropyl-1-[4-[[(1S)-1-[1-[[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]methyl]imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]imidazolidin-2-one
CID 154591543
4-cyclopropyl-3-[4-[[(1S)-1-[1-[[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]methyl]imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154974644
(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-3-methyl-5-propan-2-ylimidazolidin-2-one
CID 137439990
(4S)-3-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-cyclopropyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 152895550
(4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154591596
3-[2-[[(1R)-1-[1-(4-chlorophenyl)triazol-4-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 130384671
(5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
CID 137440064
(4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960652
(4S)-3-[4-[[(1S)-1-[1-[[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]methyl]imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154591563

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one?
The IUPAC name of 3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one (CID 154974903) is 3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one.
What is the SMILES notation for 3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one?
The canonical SMILES for 3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one is Cc1nc(N[C@@H](C)c2cn(C(=O)c3ccc(Cl)cc3)cn2)nc(N2C(=O)N(C)CC2C2CC2)n1.
What is the InChIKey of 3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one?
The InChIKey is RTFIQVKIPYOIBJ-YTJLLHSVSA-N. The full InChI is InChI=1S/C23H25ClN8O2/c1-13(18-10-31(12-25-18)20(33)16-6-8-17(24)9-7-16)26-21-27-14(2)28-22(29-21)32-19(15-4-5-15)11-30(3)23(32)34/h6-10,12-13,15,19H,4-5,11H2,1-3H3,(H,26,27,28,29)/t13-,19?/m0/s1.
What are the key properties of 3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one?
3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one has a molecular weight of 480.96 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(1S)-1-[1-(4-chlorobenzoyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1-methylimidazolidin-2-one is sourced from PubChem (CID 154974903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).