2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole

C71H91Cl2FN18 — CID 145424244

IUPAC2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
SMILESCC(C)N1CCN(c2cccc3[nH]c(C4CCCC(c5ncccc5Cl)N4)nc23)CC1.CCN1CCN(c2cccc3[nH]c(C4CCCC(c5ncc(F)cc5C)N4)nc23)CC1.CCN1CCN(c2cccc3[nH]c(C4CCCC(c5ncccc5Cl)N4)nc23)CC1
InChIInChI=1S/C24H31ClN6.C24H31FN6.C23H29ClN6/c1-16(2)30-12-14-31(15-13-30)21-10-4-8-19-23(21)29-24(28-19)20-9-3-7-18(27-20)22-17(25)6-5-11-26-22;1-3-30-10-12-31(13-11-30)21-9-5-7-19-23(21)29-24(28-19)20-8-4-6-18(27-20)22-16(2)14-17(25)15-26-22;1-2-29-12-14-30(15-13-29)20-10-4-8-18-22(20)28-23(27-18)19-9-3-7-17(26-19)21-16(24)6-5-11-25-21/h4-6,8,10-11,16,18,20,27H,3,7,9,12-15H2,1-2H3,(H,28,29);5,7,9,14-15,18,20,27H,3-4,6,8,10-13H2,1-2H3,(H,28,29);4-6,8,10-11,17,19,26H,2-3,7,9,12-15H2,1H3,(H,27,28)
InChIKeyCHQGPYDSZAPDDZ-UHFFFAOYSA-N
MW1286.54 g/mol
LogP13.11
Rot. Bonds12

About 2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole

2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole (PubChem CID 145424244) has the molecular formula C71H91Cl2FN18 and a molecular weight of 1286.54 g/mol. Its IUPAC name is 2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
PubChem CID145424244
Molecular FormulaC71H91Cl2FN18
Molecular Weight1286.54 g/mol
Exact Mass1284.70
IUPAC Name2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
SMILESCC(C)N1CCN(c2cccc3[nH]c(C4CCCC(c5ncccc5Cl)N4)nc23)CC1.CCN1CCN(c2cccc3[nH]c(C4CCCC(c5ncc(F)cc5C)N4)nc23)CC1.CCN1CCN(c2cccc3[nH]c(C4CCCC(c5ncccc5Cl)N4)nc23)CC1
InChIInChI=1S/C24H31ClN6.C24H31FN6.C23H29ClN6/c1-16(2)30-12-14-31(15-13-30)21-10-4-8-19-23(21)29-24(28-19)20-9-3-7-18(27-20)22-17(25)6-5-11-26-22;1-3-30-10-12-31(13-11-30)21-9-5-7-19-23(21)29-24(28-19)20-8-4-6-18(27-20)22-16(2)14-17(25)15-26-22;1-2-29-12-14-30(15-13-29)20-10-4-8-18-22(20)28-23(27-18)19-9-3-7-17(26-19)21-16(24)6-5-11-25-21/h4-6,8,10-11,16,18,20,27H,3,7,9,12-15H2,1-2H3,(H,28,29);5,7,9,14-15,18,20,27H,3-4,6,8,10-13H2,1-2H3,(H,28,29);4-6,8,10-11,17,19,26H,2-3,7,9,12-15H2,1H3,(H,27,28)
InChIKeyCHQGPYDSZAPDDZ-UHFFFAOYSA-N
XLogP13.11
TPSA180.24 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001286.54
LogP ≤ 513.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[3-(3-chloro-5-fluorophenyl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine
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1-[3-(3-chloro-5-fluorophenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 164627529
N-{1-[8-Chloro-5-(3-fluorophenyl)imidazo[1,5-a]-pyridin-6-yl]ethyl}-9H-purin-6-amine
CID 53465270
2-[1-[6-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-5-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 57399510
9-(6-chloro-3-pyridinyl)-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)purin-6-amine
CID 145977480
2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine
CID 162645663
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 138961919
US11420970, Example 180
CID 156073156
US11420970, Example 196
CID 156073192
US11420970, Example 200
CID 156073193
US11420970, Example 191
CID 156073324
US11420970, Example 240
CID 156073385

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole (CID 145424244) is 2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole is CC(C)N1CCN(c2cccc3[nH]c(C4CCCC(c5ncccc5Cl)N4)nc23)CC1.CCN1CCN(c2cccc3[nH]c(C4CCCC(c5ncc(F)cc5C)N4)nc23)CC1.CCN1CCN(c2cccc3[nH]c(C4CCCC(c5ncccc5Cl)N4)nc23)CC1.
What is the InChIKey of 2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole?
The InChIKey is CHQGPYDSZAPDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6.C24H31FN6.C23H29ClN6/c1-16(2)30-12-14-31(15-13-30)21-10-4-8-19-23(21)29-24(28-19)20-9-3-7-18(27-20)22-17(25)6-5-11-26-22;1-3-30-10-12-31(13-11-30)21-9-5-7-19-23(21)29-24(28-19)20-8-4-6-18(27-20)22-16(2)14-17(25)15-26-22;1-2-29-12-14-30(15-13-29)20-10-4-8-18-22(20)28-23(27-18)19-9-3-7-17(26-19)21-16(24)6-5-11-25-21/h4-6,8,10-11,16,18,20,27H,3,7,9,12-15H2,1-2H3,(H,28,29);5,7,9,14-15,18,20,27H,3-4,6,8,10-13H2,1-2H3,(H,28,29);4-6,8,10-11,17,19,26H,2-3,7,9,12-15H2,1H3,(H,27,28).
What are the key properties of 2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole?
2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole has a molecular weight of 1286.54 g/mol, XLogP of 13.11, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-ethylpiperazin-1-yl)-1H-benzimidazole;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole;4-(4-ethylpiperazin-1-yl)-2-[6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 145424244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).