2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole

C23H30N6 — CID 127733592

IUPAC2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole
SMILESCCc1nc2ccccc2n1C1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C23H30N6/c1-2-21-26-19-8-4-5-9-20(19)29(21)18-10-14-28(15-11-18)23-16-22(24-17-25-23)27-12-6-3-7-13-27/h4-5,8-9,16-18H,2-3,6-7,10-15H2,1H3
InChIKeyGRPMJTMXGHPQCB-UHFFFAOYSA-N
MW390.54 g/mol
LogP4.22
Rot. Bonds4

About 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole

2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole (PubChem CID 127733592) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole
PubChem CID127733592
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole
SMILESCCc1nc2ccccc2n1C1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C23H30N6/c1-2-21-26-19-8-4-5-9-20(19)29(21)18-10-14-28(15-11-18)23-16-22(24-17-25-23)27-12-6-3-7-13-27/h4-5,8-9,16-18H,2-3,6-7,10-15H2,1H3
InChIKeyGRPMJTMXGHPQCB-UHFFFAOYSA-N
XLogP4.22
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]quinoline
CID 133445520
7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133445499
2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole
CID 133445454
N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133445496
6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133445310
5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 133445479
(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 129393280
1-[3-[4-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 75399301
(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride
CID 120873998
1-[1-(3-ethoxy-4-nitrophenyl)piperidin-4-yl]-2-ethylbenzimidazole
CID 133445424
6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133445295
4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 133445384

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole?
The IUPAC name of 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole (CID 127733592) is 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole is CCc1nc2ccccc2n1C1CCN(c2cc(N3CCCCC3)ncn2)CC1.
What is the InChIKey of 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole?
The InChIKey is GRPMJTMXGHPQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-2-21-26-19-8-4-5-9-20(19)29(21)18-10-14-28(15-11-18)23-16-22(24-17-25-23)27-12-6-3-7-13-27/h4-5,8-9,16-18H,2-3,6-7,10-15H2,1H3.
What are the key properties of 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole?
2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole has a molecular weight of 390.54 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole is sourced from PubChem (CID 127733592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).