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

C21H17FN6 — CID 135820349

IUPAC2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine
SMILESFc1ccc2[nH]nc(-c3nc4ccc(NCCc5cccnc5)cc4[nH]3)c2c1
InChIInChI=1S/C21H17FN6/c22-14-3-5-17-16(10-14)20(28-27-17)21-25-18-6-4-15(11-19(18)26-21)24-9-7-13-2-1-8-23-12-13/h1-6,8,10-12,24H,7,9H2,(H,25,26)(H,27,28)
InChIKeyBYEQCSLZOWMNGU-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.29
Rot. Bonds5

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

2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine (PubChem CID 135820349) has the molecular formula C21H17FN6 and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine
PubChem CID135820349
Molecular FormulaC21H17FN6
Molecular Weight372.41 g/mol
Exact Mass372.15
IUPAC Name2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine
SMILESFc1ccc2[nH]nc(-c3nc4ccc(NCCc5cccnc5)cc4[nH]3)c2c1
InChIInChI=1S/C21H17FN6/c22-14-3-5-17-16(10-14)20(28-27-17)21-25-18-6-4-15(11-19(18)26-21)24-9-7-13-2-1-8-23-12-13/h1-6,8,10-12,24H,7,9H2,(H,25,26)(H,27,28)
InChIKeyBYEQCSLZOWMNGU-UHFFFAOYSA-N
XLogP4.29
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine with MolForge

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Related Compounds

6-fluoro-N-(2-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294739
3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820247
2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820020
2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 135820219
2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 135820181
2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine
CID 135819880
2-(6-fluoro-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820256
N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide
CID 175420261
2-(5-ethoxy-1H-indazol-3-yl)-N-(3-imidazol-1-ylpropyl)-3H-benzimidazol-5-amine
CID 135820037
2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820215
3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline
CID 63265162
N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine
CID 135820421

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine (CID 135820349) is 2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine is Fc1ccc2[nH]nc(-c3nc4ccc(NCCc5cccnc5)cc4[nH]3)c2c1.
What is the InChIKey of 2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine?
The InChIKey is BYEQCSLZOWMNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6/c22-14-3-5-17-16(10-14)20(28-27-17)21-25-18-6-4-15(11-19(18)26-21)24-9-7-13-2-1-8-23-12-13/h1-6,8,10-12,24H,7,9H2,(H,25,26)(H,27,28).
What are the key properties of 2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine?
2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine has a molecular weight of 372.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 135820349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).