4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one

C26H27ClN6O2 — CID 135681875

IUPAC4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one
SMILESCc1cc(C2=NCC(C)(C)N2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12
InChIInChI=1S/C26H27ClN6O2/c1-14-9-16(23-30-13-26(2,3)33-23)11-19-22(14)32-24(31-19)21-18(7-8-28-25(21)35)29-12-20(34)15-5-4-6-17(27)10-15/h4-11,20,34H,12-13H2,1-3H3,(H,30,33)(H,31,32)(H2,28,29,35)
InChIKeyIQSICYGTAPFFKF-UHFFFAOYSA-N
MW491.00 g/mol
LogP4.15
Rot. Bonds6

About 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one

4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 135681875) has the molecular formula C26H27ClN6O2 and a molecular weight of 491.00 g/mol. Its IUPAC name is 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one
PubChem CID135681875
Molecular FormulaC26H27ClN6O2
Molecular Weight491.00 g/mol
Exact Mass490.19
IUPAC Name4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one
SMILESCc1cc(C2=NCC(C)(C)N2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12
InChIInChI=1S/C26H27ClN6O2/c1-14-9-16(23-30-13-26(2,3)33-23)11-19-22(14)32-24(31-19)21-18(7-8-28-25(21)35)29-12-20(34)15-5-4-6-17(27)10-15/h4-11,20,34H,12-13H2,1-3H3,(H,30,33)(H,31,32)(H2,28,29,35)
InChIKeyIQSICYGTAPFFKF-UHFFFAOYSA-N
XLogP4.15
TPSA118.19 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.00
LogP ≤ 54.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one (CID 135681875) is 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one is Cc1cc(C2=NCC(C)(C)N2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12.
What is the InChIKey of 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is IQSICYGTAPFFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O2/c1-14-9-16(23-30-13-26(2,3)33-23)11-19-22(14)32-24(31-19)21-18(7-8-28-25(21)35)29-12-20(34)15-5-4-6-17(27)10-15/h4-11,20,34H,12-13H2,1-3H3,(H,30,33)(H,31,32)(H2,28,29,35).
What are the key properties of 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 491.00 g/mol, XLogP of 4.15, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 135681875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).