2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine

C21H17ClN6 — CID 135819880

IUPAC2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine
SMILESClc1ccc2c(-c3nc4ccc(NCCc5ccccn5)cc4[nH]3)n[nH]c2c1
InChIInChI=1S/C21H17ClN6/c22-13-4-6-16-18(11-13)27-28-20(16)21-25-17-7-5-15(12-19(17)26-21)24-10-8-14-3-1-2-9-23-14/h1-7,9,11-12,24H,8,10H2,(H,25,26)(H,27,28)
InChIKeyCPNPUUZNZDFNPV-UHFFFAOYSA-N
MW388.86 g/mol
LogP4.81
Rot. Bonds5

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

2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine (PubChem CID 135819880) has the molecular formula C21H17ClN6 and a molecular weight of 388.86 g/mol. Its IUPAC name is 2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine
PubChem CID135819880
Molecular FormulaC21H17ClN6
Molecular Weight388.86 g/mol
Exact Mass388.12
IUPAC Name2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine
SMILESClc1ccc2c(-c3nc4ccc(NCCc5ccccn5)cc4[nH]3)n[nH]c2c1
InChIInChI=1S/C21H17ClN6/c22-13-4-6-16-18(11-13)27-28-20(16)21-25-17-7-5-15(12-19(17)26-21)24-10-8-14-3-1-2-9-23-14/h1-7,9,11-12,24H,8,10H2,(H,25,26)(H,27,28)
InChIKeyCPNPUUZNZDFNPV-UHFFFAOYSA-N
XLogP4.81
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820020
2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820215
2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 135820219
2-(6-chloro-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820027
3-chloro-N-(2-pyridin-2-ylethyl)aniline
CID 5001899
2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine
CID 135820349
2-(6-chloro-1H-indazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-1H-benzimidazole
CID 135820300
5-chloro-2-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864899
2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 135820181
2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820212
2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole
CID 107519603
2-(1H-[1,3]dioxolo[4,5-f]indazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazol-5-amine
CID 135820553

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine (CID 135819880) is 2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine is Clc1ccc2c(-c3nc4ccc(NCCc5ccccn5)cc4[nH]3)n[nH]c2c1.
What is the InChIKey of 2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine?
The InChIKey is CPNPUUZNZDFNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6/c22-13-4-6-16-18(11-13)27-28-20(16)21-25-17-7-5-15(12-19(17)26-21)24-10-8-14-3-1-2-9-23-14/h1-7,9,11-12,24H,8,10H2,(H,25,26)(H,27,28).
What are the key properties of 2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine?
2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine has a molecular weight of 388.86 g/mol, XLogP of 4.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 135819880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).