1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine

C18H17FN6 — CID 86802800

IUPAC1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine
SMILESCCn1c(NCc2cn[nH]c2-c2cccnc2)nc2cc(F)ccc21
InChIInChI=1S/C18H17FN6/c1-2-25-16-6-5-14(19)8-15(16)23-18(25)21-10-13-11-22-24-17(13)12-4-3-7-20-9-12/h3-9,11H,2,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyITBUVYMAHRXUFR-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.59
Rot. Bonds5

About 1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine

1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine (PubChem CID 86802800) has the molecular formula C18H17FN6 and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine
PubChem CID86802800
Molecular FormulaC18H17FN6
Molecular Weight336.37 g/mol
Exact Mass336.15
IUPAC Name1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine
SMILESCCn1c(NCc2cn[nH]c2-c2cccnc2)nc2cc(F)ccc21
InChIInChI=1S/C18H17FN6/c1-2-25-16-6-5-14(19)8-15(16)23-18(25)21-10-13-11-22-24-17(13)12-4-3-7-20-9-12/h3-9,11H,2,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyITBUVYMAHRXUFR-UHFFFAOYSA-N
XLogP3.59
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine with MolForge

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Related Compounds

1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine
CID 86802845
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43761640
6-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 81498728
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 95139082
(1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol
CID 95135767
1-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]benzimidazol-1-yl]butan-1-one
CID 166172615
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43756378
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
5-ethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 86790656
4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43774965

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine (CID 86802800) is 1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine is CCn1c(NCc2cn[nH]c2-c2cccnc2)nc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine?
The InChIKey is ITBUVYMAHRXUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6/c1-2-25-16-6-5-14(19)8-15(16)23-18(25)21-10-13-11-22-24-17(13)12-4-3-7-20-9-12/h3-9,11H,2,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine?
1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine has a molecular weight of 336.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 86802800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).