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

C25H25ClN6O2 — CID 135681832

IUPAC4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
SMILESCc1cc(C2=NCCCN2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12
InChIInChI=1S/C25H25ClN6O2/c1-14-10-16(23-27-7-3-8-28-23)12-19-22(14)32-24(31-19)21-18(6-9-29-25(21)34)30-13-20(33)15-4-2-5-17(26)11-15/h2,4-6,9-12,20,33H,3,7-8,13H2,1H3,(H,27,28)(H,31,32)(H2,29,30,34)
InChIKeyOPICGPYWGONRDP-UHFFFAOYSA-N
MW476.97 g/mol
LogP3.77
Rot. Bonds6

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

4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 135681832) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
PubChem CID135681832
Molecular FormulaC25H25ClN6O2
Molecular Weight476.97 g/mol
Exact Mass476.17
IUPAC Name4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
SMILESCc1cc(C2=NCCCN2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12
InChIInChI=1S/C25H25ClN6O2/c1-14-10-16(23-27-7-3-8-28-23)12-19-22(14)32-24(31-19)21-18(6-9-29-25(21)34)30-13-20(33)15-4-2-5-17(26)11-15/h2,4-6,9-12,20,33H,3,7-8,13H2,1H3,(H,27,28)(H,31,32)(H2,29,30,34)
InChIKeyOPICGPYWGONRDP-UHFFFAOYSA-N
XLogP3.77
TPSA118.19 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 53.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one (CID 135681832) is 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one is Cc1cc(C2=NCCCN2)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-[4-methyl-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is OPICGPYWGONRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c1-14-10-16(23-27-7-3-8-28-23)12-19-22(14)32-24(31-19)21-18(6-9-29-25(21)34)30-13-20(33)15-4-2-5-17(26)11-15/h2,4-6,9-12,20,33H,3,7-8,13H2,1H3,(H,27,28)(H,31,32)(H2,29,30,34).
What are the key properties of 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 476.97 g/mol, XLogP of 3.77, 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-[4-methyl-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 135681832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).