N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C21H21N3O3 — CID 26238936

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESC[C@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)c1cc2ccccc2o1
InChIInChI=1S/C21H21N3O3/c1-14(19-13-15-7-3-6-10-18(15)27-19)22-20(25)11-12-24-17-9-5-4-8-16(17)23(2)21(24)26/h3-10,13-14H,11-12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyPZNVGPKMQKSCIO-AWEZNQCLSA-N
MW363.42 g/mol
LogP3.35
Rot. Bonds5

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 26238936) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID26238936
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESC[C@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)c1cc2ccccc2o1
InChIInChI=1S/C21H21N3O3/c1-14(19-13-15-7-3-6-10-18(15)27-19)22-20(25)11-12-24-17-9-5-4-8-16(17)23(2)21(24)26/h3-10,13-14H,11-12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyPZNVGPKMQKSCIO-AWEZNQCLSA-N
XLogP3.35
TPSA69.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
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3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
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3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
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N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 26238936) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is C[C@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is PZNVGPKMQKSCIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14(19-13-15-7-3-6-10-18(15)27-19)22-20(25)11-12-24-17-9-5-4-8-16(17)23(2)21(24)26/h3-10,13-14H,11-12H2,1-2H3,(H,22,25)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 363.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 26238936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).