2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole

C25H24N4OS — CID 166627880

IUPAC2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole
SMILESCC(c1nc2ccccc2[nH]1)N1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1
InChIInChI=1S/C25H24N4OS/c1-16(24-26-19-7-3-4-8-20(19)27-24)29-12-10-17(11-13-29)25-28-21(15-31-25)23-14-18-6-2-5-9-22(18)30-23/h2-9,14-17H,10-13H2,1H3,(H,26,27)
InChIKeyUPWPSAXXNHQNSW-UHFFFAOYSA-N
MW428.56 g/mol
LogP6.37
Rot. Bonds4

About 2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole

2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole (PubChem CID 166627880) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole
PubChem CID166627880
Molecular FormulaC25H24N4OS
Molecular Weight428.56 g/mol
Exact Mass428.17
IUPAC Name2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole
SMILESCC(c1nc2ccccc2[nH]1)N1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1
InChIInChI=1S/C25H24N4OS/c1-16(24-26-19-7-3-4-8-20(19)27-24)29-12-10-17(11-13-29)25-28-21(15-31-25)23-14-18-6-2-5-9-22(18)30-23/h2-9,14-17H,10-13H2,1H3,(H,26,27)
InChIKeyUPWPSAXXNHQNSW-UHFFFAOYSA-N
XLogP6.37
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole with MolForge

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Related Compounds

4-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-2-methylbenzofuro[3,2-d]pyrimidine
CID 664279
2-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 145958597
2-(1-((1H-Imidazo[4,5-b]pyridin-2-yl)methyl)piperidin-4-yl)-4-(benzofuran-2-yl)thiazole
CID 162675169
4-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-2-ethyl[1]benzofuro[3,2-d]pyrimidine
CID 3539762
2-[1-(3a,7a-dihydro-1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole
CID 155548816
4-(((1H-benzo[d]imidazol-2-yl)methyl)thio)benzofuro[3,2-d]pyrimidine
CID 663661
4-(1-benzofuran-2-yl)-N-quinolin-2-yl-1,3-thiazol-2-amine
CID 137636566
4-(1-Benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166625289
2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(6-fluoro-1-benzofuran-2-yl)-1,3-thiazole
CID 166626453
4-(1-Benzofuran-2-yl)-2-[1-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166627360
4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166628685
4-(1-Benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166629193

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole?
The IUPAC name of 2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole (CID 166627880) is 2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole?
The canonical SMILES for 2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole is CC(c1nc2ccccc2[nH]1)N1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1.
What is the InChIKey of 2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole?
The InChIKey is UPWPSAXXNHQNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS/c1-16(24-26-19-7-3-4-8-20(19)27-24)29-12-10-17(11-13-29)25-28-21(15-31-25)23-14-18-6-2-5-9-22(18)30-23/h2-9,14-17H,10-13H2,1H3,(H,26,27).
What are the key properties of 2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole?
2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole has a molecular weight of 428.56 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole is sourced from PubChem (CID 166627880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).