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

C21H18N6O — CID 135820215

IUPAC2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
SMILESCOc1ccc2[nH]nc(-c3nc4ccc(NCc5ccccn5)cc4[nH]3)c2c1
InChIInChI=1S/C21H18N6O/c1-28-15-6-8-17-16(11-15)20(27-26-17)21-24-18-7-5-13(10-19(18)25-21)23-12-14-4-2-3-9-22-14/h2-11,23H,12H2,1H3,(H,24,25)(H,26,27)
InChIKeyYUBQLCKTQKGIBA-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.12
Rot. Bonds5

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

2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine (PubChem CID 135820215) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
PubChem CID135820215
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
SMILESCOc1ccc2[nH]nc(-c3nc4ccc(NCc5ccccn5)cc4[nH]3)c2c1
InChIInChI=1S/C21H18N6O/c1-28-15-6-8-17-16(11-15)20(27-26-17)21-24-18-7-5-13(10-19(18)25-21)23-12-14-4-2-3-9-22-14/h2-11,23H,12H2,1H3,(H,24,25)(H,26,27)
InChIKeyYUBQLCKTQKGIBA-UHFFFAOYSA-N
XLogP4.12
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820020
2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine
CID 135819880
2-(5-ethoxy-1H-indazol-3-yl)-N-(3-imidazol-1-ylpropyl)-3H-benzimidazol-5-amine
CID 135820037
3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole
CID 135820320
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
N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine
CID 135820421
2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 135820313
2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
CID 135900330
N-[(4-aminophenyl)methyl]-2-(4-methoxyphenyl)-3H-benzimidazol-5-amine
CID 139827139
N-[(3,4-dimethoxyphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-amine
CID 135819915
7-methoxy-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21003056

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine (CID 135820215) is 2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine is COc1ccc2[nH]nc(-c3nc4ccc(NCc5ccccn5)cc4[nH]3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine?
The InChIKey is YUBQLCKTQKGIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-28-15-6-8-17-16(11-15)20(27-26-17)21-24-18-7-5-13(10-19(18)25-21)23-12-14-4-2-3-9-22-14/h2-11,23H,12H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine?
2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine has a molecular weight of 370.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 135820215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).