2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone

C27H25FN4O2 — CID 55656773

IUPAC2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCc1nc2cc(C(=O)N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ccc2n1-c1ccccc1
InChIInChI=1S/C27H25FN4O2/c1-19-29-24-18-21(9-12-25(24)32(19)23-5-3-2-4-6-23)27(34)31-15-13-30(14-16-31)26(33)17-20-7-10-22(28)11-8-20/h2-12,18H,13-17H2,1H3
InChIKeyMVXWQWFCVKAVKM-UHFFFAOYSA-N
MW456.52 g/mol
LogP4.00
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone (PubChem CID 55656773) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
PubChem CID55656773
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC Name2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCc1nc2cc(C(=O)N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ccc2n1-c1ccccc1
InChIInChI=1S/C27H25FN4O2/c1-19-29-24-18-21(9-12-25(24)32(19)23-5-3-2-4-6-23)27(34)31-15-13-30(14-16-31)26(33)17-20-7-10-22(28)11-8-20/h2-12,18H,13-17H2,1H3
InChIKeyMVXWQWFCVKAVKM-UHFFFAOYSA-N
XLogP4.00
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 34838428
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
(2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 17398284
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 46651328
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;dihydrochloride
CID 120656617
[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 110075948
[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 129453909
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 119637364
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55656852
(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 112760191
2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 97324649

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone (CID 55656773) is 2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone is Cc1nc2cc(C(=O)N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ccc2n1-c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is MVXWQWFCVKAVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c1-19-29-24-18-21(9-12-25(24)32(19)23-5-3-2-4-6-23)27(34)31-15-13-30(14-16-31)26(33)17-20-7-10-22(28)11-8-20/h2-12,18H,13-17H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 456.52 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55656773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).