N-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide

C26H24ClN5O2 — CID 172580306

IUPACN-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide
SMILESCc1ccc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cc1C(=O)NCCN
InChIInChI=1S/C26H24ClN5O2/c1-15-3-5-18(12-19(15)25(33)29-9-8-28)34-26-30-22-13-20(21(27)14-23(22)31-26)16-4-6-24-17(11-16)7-10-32(24)2/h3-7,10-14H,8-9,28H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyBZYUKFFJTOACQF-UHFFFAOYSA-N
MW473.96 g/mol
LogP5.16
Rot. Bonds6

About N-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide

N-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide (PubChem CID 172580306) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide
PubChem CID172580306
Molecular FormulaC26H24ClN5O2
Molecular Weight473.96 g/mol
Exact Mass473.16
IUPAC NameN-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide
SMILESCc1ccc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cc1C(=O)NCCN
InChIInChI=1S/C26H24ClN5O2/c1-15-3-5-18(12-19(15)25(33)29-9-8-28)34-26-30-22-13-20(21(27)14-23(22)31-26)16-4-6-24-17(11-16)7-10-32(24)2/h3-7,10-14H,8-9,28H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyBZYUKFFJTOACQF-UHFFFAOYSA-N
XLogP5.16
TPSA97.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.96
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide with MolForge

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Related Compounds

2-chloro-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]benzoic acid
CID 59267650
5-[[6-chloro-5-(1-methylindol-6-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 59267575
5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methyl-N-[5-[3-[5-(2-oxo-4-prop-2-enoylpiperazin-1-yl)furan-2-yl]propanoylamino]pentyl]benzamide
CID 176557442
5-[2-(3-carboxy-4-methylphenoxy)-6-chloro-1H-benzimidazol-5-yl]-1-methylindole-2-carboxylic acid
CID 59267838
2-amino-5-[[6-fluoro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]benzoic acid
CID 165089637
methyl 5-[[6-chloro-5-(3-methylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoate
CID 70903149
5-[[6-chloro-5-[4-(4-methoxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 59267460
methyl 5-[6-chloro-5-(1-methylindol-5-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxy-2-methylbenzoate
CID 68573088
5-[(6-chloro-5-quinolin-3-yl-1H-benzimidazol-2-yl)oxy]-2-methylbenzoic acid
CID 59267494
5-[[6-chloro-5-(7-methoxycarbonyl-1-methylindol-4-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 59267632
5-[[6-chloro-5-(4-methylpyridin-1-ium-2-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 59267559
dimethyl 5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-3-methylbenzene-1,2-dicarboxylate
CID 59267462

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide (CID 172580306) is N-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide is Cc1ccc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide?
The InChIKey is BZYUKFFJTOACQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c1-15-3-5-18(12-19(15)25(33)29-9-8-28)34-26-30-22-13-20(21(27)14-23(22)31-26)16-4-6-24-17(11-16)7-10-32(24)2/h3-7,10-14H,8-9,28H2,1-2H3,(H,29,33)(H,30,31).
What are the key properties of N-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide?
N-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide has a molecular weight of 473.96 g/mol, XLogP of 5.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzamide is sourced from PubChem (CID 172580306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).