N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide

C25H22N4O2 — CID 166194187

IUPACN-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H22N4O2/c1-31-17-12-10-16(11-13-17)24-19(18-6-2-3-7-20(18)26-24)14-15-23(30)29-25-27-21-8-4-5-9-22(21)28-25/h2-13,26H,14-15H2,1H3,(H2,27,28,29,30)
InChIKeyIDORPYPFSMEXMF-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.29
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide

N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide (PubChem CID 166194187) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
PubChem CID166194187
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H22N4O2/c1-31-17-12-10-16(11-13-17)24-19(18-6-2-3-7-20(18)26-24)14-15-23(30)29-25-27-21-8-4-5-9-22(21)28-25/h2-13,26H,14-15H2,1H3,(H2,27,28,29,30)
InChIKeyIDORPYPFSMEXMF-UHFFFAOYSA-N
XLogP5.29
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505630
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide
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3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylpropyl)propanamide
CID 17463237
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
CID 9076803
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083534
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(5-methylhexan-2-yl)propanamide
CID 16566418
3-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanoic acid
CID 119237348
ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate
CID 56558488
N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 26689901
N-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 47088568
benzyl 2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]acetate
CID 27711373
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55676728

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide (CID 166194187) is N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?
The InChIKey is IDORPYPFSMEXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-31-17-12-10-16(11-13-17)24-19(18-6-2-3-7-20(18)26-24)14-15-23(30)29-25-27-21-8-4-5-9-22(21)28-25/h2-13,26H,14-15H2,1H3,(H2,27,28,29,30).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?
N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide has a molecular weight of 410.48 g/mol, XLogP of 5.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide is sourced from PubChem (CID 166194187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).