N-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine

C22H29FN6 — CID 68831611

IUPACN-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine
SMILESCc1c(F)ccc2[nH]c(C3CN(C)CCC3(C)CCCNc3ncccn3)nc12
InChIInChI=1S/C22H29FN6/c1-15-17(23)6-7-18-19(15)28-20(27-18)16-14-29(3)13-9-22(16,2)8-4-10-24-21-25-11-5-12-26-21/h5-7,11-12,16H,4,8-10,13-14H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyZZBCZWOVMQKNTR-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.12
Rot. Bonds6

About N-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine

N-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine (PubChem CID 68831611) has the molecular formula C22H29FN6 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine
PubChem CID68831611
Molecular FormulaC22H29FN6
Molecular Weight396.51 g/mol
Exact Mass396.24
IUPAC NameN-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine
SMILESCc1c(F)ccc2[nH]c(C3CN(C)CCC3(C)CCCNc3ncccn3)nc12
InChIInChI=1S/C22H29FN6/c1-15-17(23)6-7-18-19(15)28-20(27-18)16-14-29(3)13-9-22(16,2)8-4-10-24-21-25-11-5-12-26-21/h5-7,11-12,16H,4,8-10,13-14H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyZZBCZWOVMQKNTR-UHFFFAOYSA-N
XLogP4.12
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine
CID 169229750
5-fluoro-4-methyl-2-[2-methyl-4-[3-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)propoxy]phenyl]-1H-benzimidazole
CID 46890675
N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 60667125
2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine
CID 68657960
5-chloro-N-[3-(4-ethyl-1-methylpiperidin-4-yl)propyl]-4-phenylpyrimidin-2-amine
CID 141172126
6-cyclopropyl-N-[(5-fluoro-4-methyl-1H-benzimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
CID 156846901
[(2S,3S)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 118127466
N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine
CID 62663057
N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906747
N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine
CID 42646272
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74230497
4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 70082198

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine?
The IUPAC name of N-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine (CID 68831611) is N-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine.
What is the SMILES notation for N-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine?
The canonical SMILES for N-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine is Cc1c(F)ccc2[nH]c(C3CN(C)CCC3(C)CCCNc3ncccn3)nc12.
What is the InChIKey of N-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine?
The InChIKey is ZZBCZWOVMQKNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN6/c1-15-17(23)6-7-18-19(15)28-20(27-18)16-14-29(3)13-9-22(16,2)8-4-10-24-21-25-11-5-12-26-21/h5-7,11-12,16H,4,8-10,13-14H2,1-3H3,(H,27,28)(H,24,25,26).
What are the key properties of N-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine?
N-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine has a molecular weight of 396.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine is sourced from PubChem (CID 68831611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).