N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine

C22H26N6 — CID 135820407

IUPACN-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine
SMILESCc1cccc2c(-c3nc4ccc(N(C)C5CCN(C)CC5)cc4[nH]3)[nH]nc12
InChIInChI=1S/C22H26N6/c1-14-5-4-6-17-20(14)25-26-21(17)22-23-18-8-7-16(13-19(18)24-22)28(3)15-9-11-27(2)12-10-15/h4-8,13,15H,9-12H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyFMSWIURONRGUQI-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.95
Rot. Bonds3

About N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine

N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine (PubChem CID 135820407) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine
PubChem CID135820407
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC NameN-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine
SMILESCc1cccc2c(-c3nc4ccc(N(C)C5CCN(C)CC5)cc4[nH]3)[nH]nc12
InChIInChI=1S/C22H26N6/c1-14-5-4-6-17-20(14)25-26-21(17)22-23-18-8-7-16(13-19(18)24-22)28(3)15-9-11-27(2)12-10-15/h4-8,13,15H,9-12H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyFMSWIURONRGUQI-UHFFFAOYSA-N
XLogP3.95
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine with MolForge

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Related Compounds

2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine
CID 135820141
N-methyl-N-(1-methylpiperidin-4-yl)-2-(6-nitro-1H-indazol-3-yl)-3H-benzimidazol-5-amine
CID 135820408
2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820353
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
N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide
CID 135820165
N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpyrrolidin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 23590827
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-2-amine
CID 62300001
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole
CID 59785439
6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 58997382
1-N,4-N-dimethyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
CID 117041410
2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 67356790
N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 46999144

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine?
The IUPAC name of N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine (CID 135820407) is N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine.
What is the SMILES notation for N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine?
The canonical SMILES for N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine is Cc1cccc2c(-c3nc4ccc(N(C)C5CCN(C)CC5)cc4[nH]3)[nH]nc12.
What is the InChIKey of N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine?
The InChIKey is FMSWIURONRGUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-14-5-4-6-17-20(14)25-26-21(17)22-23-18-8-7-16(13-19(18)24-22)28(3)15-9-11-27(2)12-10-15/h4-8,13,15H,9-12H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine?
N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine has a molecular weight of 374.49 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 135820407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).