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

C24H21ClN6O2 — CID 135553383

IUPAC4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4ccccc4Cl)cc[nH]c3=O)nc12
InChIInChI=1S/C24H21ClN6O2/c1-14-10-15(31-9-8-26-13-31)11-19-22(14)30-23(29-19)21-18(6-7-27-24(21)33)28-12-20(32)16-4-2-3-5-17(16)25/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)
InChIKeyKOLLAAGGKODJFJ-UHFFFAOYSA-N
MW460.93 g/mol
LogP4.21
Rot. Bonds6

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

4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 135553383) has the molecular formula C24H21ClN6O2 and a molecular weight of 460.93 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID135553383
Molecular FormulaC24H21ClN6O2
Molecular Weight460.93 g/mol
Exact Mass460.14
IUPAC Name4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4ccccc4Cl)cc[nH]c3=O)nc12
InChIInChI=1S/C24H21ClN6O2/c1-14-10-15(31-9-8-26-13-31)11-19-22(14)30-23(29-19)21-18(6-7-27-24(21)33)28-12-20(32)16-4-2-3-5-17(16)25/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)
InChIKeyKOLLAAGGKODJFJ-UHFFFAOYSA-N
XLogP4.21
TPSA111.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Bms-536924
CID 135440466
4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydropyridin-2-one
CID 135875708
4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-{6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-1,3-benzodiazol-2-yl}-1,2-dihydropyridin-2-one
CID 135875709
4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-{6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-1,3-benzodiazol-2-yl}-1,2-dihydropyridin-2-one
CID 135875710
methyl N-[1-[2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidin-4-yl]carbamate
CID 135960720
(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-hydroxypiperidin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
CID 135960711
(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-methoxypiperidin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
CID 135960712
(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-(2-methoxyethoxy)piperidin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
CID 135960713
4-((S)-2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-methyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
CID 135960715
(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-(dimethylamino)piperidin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
CID 135960717
(S)-N-(1-(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-1H-benzo[d]imidazol-6-yl)piperidin-4-yl)cyclopropanecarboxamide
CID 135960719
3-[6-[4-[bis(2-methoxyethyl)amino]piperidin-1-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one
CID 135960721

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 135553383) is 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4ccccc4Cl)cc[nH]c3=O)nc12.
What is the InChIKey of 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is KOLLAAGGKODJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O2/c1-14-10-15(31-9-8-26-13-31)11-19-22(14)30-23(29-19)21-18(6-7-27-24(21)33)28-12-20(32)16-4-2-3-5-17(16)25/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33).
What are the key properties of 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 460.93 g/mol, XLogP of 4.21, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135553383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).