(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone

C20H19FN4O2 — CID 110802344

IUPAC(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)cc2[nH]1
InChIInChI=1S/C20H19FN4O2/c1-13-22-17-6-5-15(12-18(17)23-13)20(27)25-9-7-24(8-10-25)19(26)14-3-2-4-16(21)11-14/h2-6,11-12H,7-10H2,1H3,(H,22,23)
InChIKeyZJHXMBJICAMWQL-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.61
Rot. Bonds2

About (3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone

(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 110802344) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID110802344
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)cc2[nH]1
InChIInChI=1S/C20H19FN4O2/c1-13-22-17-6-5-15(12-18(17)23-13)20(27)25-9-7-24(8-10-25)19(26)14-3-2-4-16(21)11-14/h2-6,11-12H,7-10H2,1H3,(H,22,23)
InChIKeyZJHXMBJICAMWQL-UHFFFAOYSA-N
XLogP2.61
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
(2-methyl-3H-benzimidazol-5-yl)-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802143
[4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808603
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110692487
propan-2-yl 4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 143658550
(2-methyl-3H-benzimidazol-5-yl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814093
4-(2-methyl-3H-benzimidazole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813696
3-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110814711
(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643369
(4-ethylsulfonyl-1,4-diazepan-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 110810124
(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643379

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone (CID 110802344) is (3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone is Cc1nc2ccc(C(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)cc2[nH]1.
What is the InChIKey of (3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is ZJHXMBJICAMWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13-22-17-6-5-15(12-18(17)23-13)20(27)25-9-7-24(8-10-25)19(26)14-3-2-4-16(21)11-14/h2-6,11-12H,7-10H2,1H3,(H,22,23).
What are the key properties of (3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 366.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110802344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).