[2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone

C20H15F2N5O — CID 70833468

IUPAC[2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone
SMILESCc1c(CN)cncc1-c1cc(C(=O)c2nc3c(F)cc(F)cc3[nH]2)ccn1
InChIInChI=1S/C20H15F2N5O/c1-10-12(7-23)8-24-9-14(10)16-4-11(2-3-25-16)19(28)20-26-17-6-13(21)5-15(22)18(17)27-20/h2-6,8-9H,7,23H2,1H3,(H,26,27)
InChIKeyCBUAVADRAKCQEI-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.30
Rot. Bonds4

About [2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone

[2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone (PubChem CID 70833468) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is [2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone.

Molecular Properties

Compound Name[2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone
PubChem CID70833468
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name[2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone
SMILESCc1c(CN)cncc1-c1cc(C(=O)c2nc3c(F)cc(F)cc3[nH]2)ccn1
InChIInChI=1S/C20H15F2N5O/c1-10-12(7-23)8-24-9-14(10)16-4-11(2-3-25-16)19(28)20-26-17-6-13(21)5-15(22)18(17)27-20/h2-6,8-9H,7,23H2,1H3,(H,26,27)
InChIKeyCBUAVADRAKCQEI-UHFFFAOYSA-N
XLogP3.30
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone with MolForge

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Related Compounds

5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide
CID 175464494
N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
CID 175289704
(4,6-difluoro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 11778395
3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829918
2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine
CID 113308599
[1-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-5-(5-fluoro-2-methylphenyl)-4-pyridinyl]azetidin-3-yl]methanamine
CID 139392644
2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463378
7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid
CID 58252507
1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone
CID 123388492
2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81463007
ethyl 1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutane-1-carboxylate
CID 81448307
(6,8-difluoro-2-methylquinolin-4-yl)methanamine
CID 82507508

Frequently Asked Questions

What is the IUPAC name of [2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone?
The IUPAC name of [2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone (CID 70833468) is [2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone.
What is the SMILES notation for [2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone?
The canonical SMILES for [2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone is Cc1c(CN)cncc1-c1cc(C(=O)c2nc3c(F)cc(F)cc3[nH]2)ccn1.
What is the InChIKey of [2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone?
The InChIKey is CBUAVADRAKCQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c1-10-12(7-23)8-24-9-14(10)16-4-11(2-3-25-16)19(28)20-26-17-6-13(21)5-15(22)18(17)27-20/h2-6,8-9H,7,23H2,1H3,(H,26,27).
What are the key properties of [2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone?
[2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone has a molecular weight of 379.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(aminomethyl)-4-methyl-3-pyridinyl]-4-pyridinyl]-(4,6-difluoro-1H-benzimidazol-2-yl)methanone is sourced from PubChem (CID 70833468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).