[2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone

C25H25FN6OS — CID 71232088

IUPAC[2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1cccc2[nH]c(-c3ccccc3F)nc12)N1CC(N2CCN(Cc3cscn3)CC2)C1
InChIInChI=1S/C25H25FN6OS/c26-21-6-2-1-4-19(21)24-28-22-7-3-5-20(23(22)29-24)25(33)32-13-18(14-32)31-10-8-30(9-11-31)12-17-15-34-16-27-17/h1-7,15-16,18H,8-14H2,(H,28,29)
InChIKeyWICVVXPIYXASAX-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.47
Rot. Bonds5

About [2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone

[2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 71232088) has the molecular formula C25H25FN6OS and a molecular weight of 476.58 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone
PubChem CID71232088
Molecular FormulaC25H25FN6OS
Molecular Weight476.58 g/mol
Exact Mass476.18
IUPAC Name[2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1cccc2[nH]c(-c3ccccc3F)nc12)N1CC(N2CCN(Cc3cscn3)CC2)C1
InChIInChI=1S/C25H25FN6OS/c26-21-6-2-1-4-19(21)24-28-22-7-3-5-20(23(22)29-24)25(33)32-13-18(14-32)31-10-8-30(9-11-31)12-17-15-34-16-27-17/h1-7,15-16,18H,8-14H2,(H,28,29)
InChIKeyWICVVXPIYXASAX-UHFFFAOYSA-N
XLogP3.47
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
CID 137348704
6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
CID 137348705
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-(6-methylpyridin-3-yl)ethanone
CID 117740323
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-benzimidazole-4-carboxamide
CID 10646494
1-(4-Fluorophenyl)-5-({3-[4-(1,3-thiazol-2-ylcarbonyl)piperazin-1-yl]azetidin-1-yl}carbonyl)-1H-benzimidazole
CID 59625986
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 71455173
2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
CID 141466122
2-(7-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
CID 141466125
1-Ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide
CID 141466145
6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
CID 141466149
2-(7-cyclopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
CID 141466151
2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
CID 141466159

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of [2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 71232088) is [2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for [2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for [2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(c1cccc2[nH]c(-c3ccccc3F)nc12)N1CC(N2CCN(Cc3cscn3)CC2)C1.
What is the InChIKey of [2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone?
The InChIKey is WICVVXPIYXASAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6OS/c26-21-6-2-1-4-19(21)24-28-22-7-3-5-20(23(22)29-24)25(33)32-13-18(14-32)31-10-8-30(9-11-31)12-17-15-34-16-27-17/h1-7,15-16,18H,8-14H2,(H,28,29).
What are the key properties of [2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone?
[2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 476.58 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 71232088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).