2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine

C20H15FN6 — CID 135820020

IUPAC2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
SMILESFc1ccc2c(-c3nc4ccc(NCc5ccccn5)cc4[nH]3)n[nH]c2c1
InChIInChI=1S/C20H15FN6/c21-12-4-6-15-17(9-12)26-27-19(15)20-24-16-7-5-13(10-18(16)25-20)23-11-14-3-1-2-8-22-14/h1-10,23H,11H2,(H,24,25)(H,26,27)
InChIKeyCDTVIGLOSQIRIG-UHFFFAOYSA-N
MW358.38 g/mol
LogP4.25
Rot. Bonds4

About 2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine

2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine (PubChem CID 135820020) has the molecular formula C20H15FN6 and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
PubChem CID135820020
Molecular FormulaC20H15FN6
Molecular Weight358.38 g/mol
Exact Mass358.13
IUPAC Name2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
SMILESFc1ccc2c(-c3nc4ccc(NCc5ccccn5)cc4[nH]3)n[nH]c2c1
InChIInChI=1S/C20H15FN6/c21-12-4-6-15-17(9-12)26-27-19(15)20-24-16-7-5-13(10-18(16)25-20)23-11-14-3-1-2-8-22-14/h1-10,23H,11H2,(H,24,25)(H,26,27)
InChIKeyCDTVIGLOSQIRIG-UHFFFAOYSA-N
XLogP4.25
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820215
2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine
CID 135819880
2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine
CID 135820349
2-(6-fluoro-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820256
2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 135820181
3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820247
2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 135820219
N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide
CID 175420261
3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol
CID 168594981
3-fluoro-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)benzamide
CID 56762590
2-(1H-[1,3]dioxolo[4,5-f]indazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazol-5-amine
CID 135820553
N-(2-morpholin-4-ylethyl)-2-(6-nitro-1H-indazol-3-yl)-3H-benzimidazol-5-amine
CID 135820230

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine (CID 135820020) is 2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine is Fc1ccc2c(-c3nc4ccc(NCc5ccccn5)cc4[nH]3)n[nH]c2c1.
What is the InChIKey of 2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine?
The InChIKey is CDTVIGLOSQIRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6/c21-12-4-6-15-17(9-12)26-27-19(15)20-24-16-7-5-13(10-18(16)25-20)23-11-14-3-1-2-8-22-14/h1-10,23H,11H2,(H,24,25)(H,26,27).
What are the key properties of 2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine?
2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine has a molecular weight of 358.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 135820020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).