2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine

C21H24N6 — CID 135820141

IUPAC2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine
SMILESCN1CCC(N(C)c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)CC1
InChIInChI=1S/C21H24N6/c1-26-11-9-14(10-12-26)27(2)15-7-8-18-19(13-15)23-21(22-18)20-16-5-3-4-6-17(16)24-25-20/h3-8,13-14H,9-12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyAEXAYHMFAIXNSU-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.64
Rot. Bonds3

About 2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine

2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine (PubChem CID 135820141) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine
PubChem CID135820141
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine
SMILESCN1CCC(N(C)c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)CC1
InChIInChI=1S/C21H24N6/c1-26-11-9-14(10-12-26)27(2)15-7-8-18-19(13-15)23-21(22-18)20-16-5-3-4-6-17(16)24-25-20/h3-8,13-14H,9-12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyAEXAYHMFAIXNSU-UHFFFAOYSA-N
XLogP3.64
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-2-(6-nitro-1H-indazol-3-yl)-3H-benzimidazol-5-amine
CID 135820408
N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine
CID 135820407
2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
CID 135804563
4-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 136621476
2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820212
2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 135750617
4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde
CID 142236684
2-(1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820355
1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 135820363
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile
CID 135820452
N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline
CID 135928483
5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline
CID 141143475

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine (CID 135820141) is 2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine is CN1CCC(N(C)c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)CC1.
What is the InChIKey of 2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine?
The InChIKey is AEXAYHMFAIXNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-26-11-9-14(10-12-26)27(2)15-7-8-18-19(13-15)23-21(22-18)20-16-5-3-4-6-17(16)24-25-20/h3-8,13-14H,9-12H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine?
2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine has a molecular weight of 360.47 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 135820141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).