3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide

C23H26N4O — CID 91639142

IUPAC3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide
SMILESCC(C)[C@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2n1C
InChIInChI=1S/C23H26N4O/c1-16(2)22(23-24-18-9-5-7-11-20(18)26(23)3)25-21(28)13-15-27-14-12-17-8-4-6-10-19(17)27/h4-12,14,16,22H,13,15H2,1-3H3,(H,25,28)/t22-/m0/s1
InChIKeyZTOXZZIHPMMOSH-QFIPXVFZSA-N
MW374.49 g/mol
LogP4.43
Rot. Bonds6

About 3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide

3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide (PubChem CID 91639142) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide
PubChem CID91639142
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide
SMILESCC(C)[C@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2n1C
InChIInChI=1S/C23H26N4O/c1-16(2)22(23-24-18-9-5-7-11-20(18)26(23)3)25-21(28)13-15-27-14-12-17-8-4-6-10-19(17)27/h4-12,14,16,22H,13,15H2,1-3H3,(H,25,28)/t22-/m0/s1
InChIKeyZTOXZZIHPMMOSH-QFIPXVFZSA-N
XLogP4.43
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 124862718
2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91639450
2-(2-methoxyphenyl)-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91823296
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide
CID 18129742
N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 86207080
5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide
CID 91636794
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide
CID 31002408
3-indol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 47018589
3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 110210186
N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 102564423
2-methoxy-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 121240654

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide?
The IUPAC name of 3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide (CID 91639142) is 3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide.
What is the SMILES notation for 3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide?
The canonical SMILES for 3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide is CC(C)[C@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2n1C.
What is the InChIKey of 3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide?
The InChIKey is ZTOXZZIHPMMOSH-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(2)22(23-24-18-9-5-7-11-20(18)26(23)3)25-21(28)13-15-27-14-12-17-8-4-6-10-19(17)27/h4-12,14,16,22H,13,15H2,1-3H3,(H,25,28)/t22-/m0/s1.
What are the key properties of 3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide?
3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide has a molecular weight of 374.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide is sourced from PubChem (CID 91639142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).