5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine

C19H17FN6 — CID 25285338

IUPAC5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine
SMILESCc1cccc2[nH]c(CN(C)c3nncc(-c4cccc(F)c4)n3)nc12
InChIInChI=1S/C19H17FN6/c1-12-5-3-8-15-18(12)24-17(22-15)11-26(2)19-23-16(10-21-25-19)13-6-4-7-14(20)9-13/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyNUTCDTRVCMDBLN-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.50
Rot. Bonds4

About 5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine

5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine (PubChem CID 25285338) has the molecular formula C19H17FN6 and a molecular weight of 348.39 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine
PubChem CID25285338
Molecular FormulaC19H17FN6
Molecular Weight348.39 g/mol
Exact Mass348.15
IUPAC Name5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine
SMILESCc1cccc2[nH]c(CN(C)c3nncc(-c4cccc(F)c4)n3)nc12
InChIInChI=1S/C19H17FN6/c1-12-5-3-8-15-18(12)24-17(22-15)11-26(2)19-23-16(10-21-25-19)13-6-4-7-14(20)9-13/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyNUTCDTRVCMDBLN-UHFFFAOYSA-N
XLogP3.50
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 45208625
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834
2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
CID 60973900
1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine
CID 86781685
2-benzyl-4-methyl-1H-benzimidazole
CID 12948781
2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722292
4-(3-fluorophenyl)-2-methyl-1H-benzimidazole
CID 70914004
1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]azepane
CID 25373449
5-chloro-3-(3-fluorophenyl)pyridazine
CID 117106965
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154903388
2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
CID 64722498

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine (CID 25285338) is 5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine is Cc1cccc2[nH]c(CN(C)c3nncc(-c4cccc(F)c4)n3)nc12.
What is the InChIKey of 5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is NUTCDTRVCMDBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6/c1-12-5-3-8-15-18(12)24-17(22-15)11-26(2)19-23-16(10-21-25-19)13-6-4-7-14(20)9-13/h3-10H,11H2,1-2H3,(H,22,24).
What are the key properties of 5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine?
5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 348.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 25285338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).