[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone

C26H29FN6O — CID 67287574

IUPAC[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone
SMILESCc1n[nH]c(C)c1-c1cc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)ccc1F
InChIInChI=1S/C26H29FN6O/c1-15-24(16(2)31-30-15)20-13-17(5-7-21(20)27)25(34)26-28-22-8-6-19(14-23(22)29-26)33-11-9-18(10-12-33)32(3)4/h5-8,13-14,18H,9-12H2,1-4H3,(H,28,29)(H,30,31)
InChIKeyNIXXTBYWHWSBRD-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.47
Rot. Bonds5

About [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone

[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone (PubChem CID 67287574) has the molecular formula C26H29FN6O and a molecular weight of 460.56 g/mol. Its IUPAC name is [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone.

Molecular Properties

Compound Name[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone
PubChem CID67287574
Molecular FormulaC26H29FN6O
Molecular Weight460.56 g/mol
Exact Mass460.24
IUPAC Name[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone
SMILESCc1n[nH]c(C)c1-c1cc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)ccc1F
InChIInChI=1S/C26H29FN6O/c1-15-24(16(2)31-30-15)20-13-17(5-7-21(20)27)25(34)26-28-22-8-6-19(14-23(22)29-26)33-11-9-18(10-12-33)32(3)4/h5-8,13-14,18H,9-12H2,1-4H3,(H,28,29)(H,30,31)
InChIKeyNIXXTBYWHWSBRD-UHFFFAOYSA-N
XLogP4.47
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 141306130
[2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone
CID 66599713
[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone
CID 45488171
N-[3-(dimethylamino)propyl]-1-[4-fluoro-3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-methylpiperidine-4-carboxamide
CID 67099368
4-amino-3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1H-benzimidazol-2-yl]-5-fluoro-1H-quinolin-2-one
CID 136599519
[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone
CID 174664764
4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde
CID 62134906
(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone
CID 57126569
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
2-(4-chlorophenoxy)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
CID 110643390
2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 46990564
(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 [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone?
The IUPAC name of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone (CID 67287574) is [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone.
What is the SMILES notation for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone?
The canonical SMILES for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone is Cc1n[nH]c(C)c1-c1cc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)ccc1F.
What is the InChIKey of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone?
The InChIKey is NIXXTBYWHWSBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O/c1-15-24(16(2)31-30-15)20-13-17(5-7-21(20)27)25(34)26-28-22-8-6-19(14-23(22)29-26)33-11-9-18(10-12-33)32(3)4/h5-8,13-14,18H,9-12H2,1-4H3,(H,28,29)(H,30,31).
What are the key properties of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone?
[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone has a molecular weight of 460.56 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone is sourced from PubChem (CID 67287574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).