[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone

C19H20FN5O — CID 146043710

IUPAC[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
SMILESCC1CN(C(=O)c2ccc3c(c2)ncn3C)CCN1c1ccc(F)cn1
InChIInChI=1S/C19H20FN5O/c1-13-11-24(7-8-25(13)18-6-4-15(20)10-21-18)19(26)14-3-5-17-16(9-14)22-12-23(17)2/h3-6,9-10,12-13H,7-8,11H2,1-2H3
InChIKeyRBVCPRRYVQWYIL-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.46
Rot. Bonds2

About [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone

[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone (PubChem CID 146043710) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
PubChem CID146043710
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
SMILESCC1CN(C(=O)c2ccc3c(c2)ncn3C)CCN1c1ccc(F)cn1
InChIInChI=1S/C19H20FN5O/c1-13-11-24(7-8-25(13)18-6-4-15(20)10-21-18)19(26)14-3-5-17-16(9-14)22-12-23(17)2/h3-6,9-10,12-13H,7-8,11H2,1-2H3
InChIKeyRBVCPRRYVQWYIL-UHFFFAOYSA-N
XLogP2.46
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 146041511
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801207
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887
(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone
CID 146038836
[1-(1-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 118789278
1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 146043390
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110801799
2-(4-chlorophenoxy)-1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]ethanone
CID 146045286

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone?
The IUPAC name of [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone (CID 146043710) is [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone.
What is the SMILES notation for [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone?
The canonical SMILES for [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone is CC1CN(C(=O)c2ccc3c(c2)ncn3C)CCN1c1ccc(F)cn1.
What is the InChIKey of [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone?
The InChIKey is RBVCPRRYVQWYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-13-11-24(7-8-25(13)18-6-4-15(20)10-21-18)19(26)14-3-5-17-16(9-14)22-12-23(17)2/h3-6,9-10,12-13H,7-8,11H2,1-2H3.
What are the key properties of [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone?
[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone has a molecular weight of 353.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 146043710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).