3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide

C21H22N4O — CID 26443966

IUPAC3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
SMILESCc1nc2ccccc2n1CCNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C21H22N4O/c1-15-24-19-8-4-5-9-20(19)25(15)13-12-22-21(26)11-10-16-14-23-18-7-3-2-6-17(16)18/h2-9,14,23H,10-13H2,1H3,(H,22,26)
InChIKeyAPMPGIVOERRKSK-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.58
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide

3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide (PubChem CID 26443966) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
PubChem CID26443966
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
SMILESCc1nc2ccccc2n1CCNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C21H22N4O/c1-15-24-19-8-4-5-9-20(19)25(15)13-12-22-21(26)11-10-16-14-23-18-7-3-2-6-17(16)18/h2-9,14,23H,10-13H2,1H3,(H,22,26)
InChIKeyAPMPGIVOERRKSK-UHFFFAOYSA-N
XLogP3.58
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110996415
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CID 71692027
N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 71703213
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 38091464
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 40716703
N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
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2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-indole-3-carboxamide
CID 25393465
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide (CID 26443966) is 3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide is Cc1nc2ccccc2n1CCNC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The InChIKey is APMPGIVOERRKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-24-19-8-4-5-9-20(19)25(15)13-12-22-21(26)11-10-16-14-23-18-7-3-2-6-17(16)18/h2-9,14,23H,10-13H2,1H3,(H,22,26).
What are the key properties of 3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide has a molecular weight of 346.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 26443966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).