2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine

C20H15BrN6 — CID 135820181

IUPAC2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
SMILESBrc1ccc2[nH]nc(-c3nc4ccc(NCc5ccncc5)cc4[nH]3)c2c1
InChIInChI=1S/C20H15BrN6/c21-13-1-3-16-15(9-13)19(27-26-16)20-24-17-4-2-14(10-18(17)25-20)23-11-12-5-7-22-8-6-12/h1-10,23H,11H2,(H,24,25)(H,26,27)
InChIKeyFNDZCUXXCDNJDP-UHFFFAOYSA-N
MW419.29 g/mol
LogP4.88
Rot. Bonds4

About 2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine

2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine (PubChem CID 135820181) has the molecular formula C20H15BrN6 and a molecular weight of 419.29 g/mol. Its IUPAC name is 2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
PubChem CID135820181
Molecular FormulaC20H15BrN6
Molecular Weight419.29 g/mol
Exact Mass418.05
IUPAC Name2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
SMILESBrc1ccc2[nH]nc(-c3nc4ccc(NCc5ccncc5)cc4[nH]3)c2c1
InChIInChI=1S/C20H15BrN6/c21-13-1-3-16-15(9-13)19(27-26-16)20-24-17-4-2-14(10-18(17)25-20)23-11-12-5-7-22-8-6-12/h1-10,23H,11H2,(H,24,25)(H,26,27)
InChIKeyFNDZCUXXCDNJDP-UHFFFAOYSA-N
XLogP4.88
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.29
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 135820219
2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine
CID 135820349
2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 28714219
2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820215
2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820020
N-[(3,4-dimethoxyphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-amine
CID 135819915
2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole
CID 135820166
2-(5-ethoxy-1H-indazol-3-yl)-N-(3-imidazol-1-ylpropyl)-3H-benzimidazol-5-amine
CID 135820037
2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine
CID 135819880
N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine
CID 135820421
2-(1H-[1,3]dioxolo[4,5-f]indazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazol-5-amine
CID 135820553
N-[(4-bromo-2-fluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 135750768

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine (CID 135820181) is 2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine is Brc1ccc2[nH]nc(-c3nc4ccc(NCc5ccncc5)cc4[nH]3)c2c1.
What is the InChIKey of 2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine?
The InChIKey is FNDZCUXXCDNJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN6/c21-13-1-3-16-15(9-13)19(27-26-16)20-24-17-4-2-14(10-18(17)25-20)23-11-12-5-7-22-8-6-12/h1-10,23H,11H2,(H,24,25)(H,26,27).
What are the key properties of 2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine?
2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine has a molecular weight of 419.29 g/mol, XLogP of 4.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 135820181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).