3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide

C20H23N5O2 — CID 60554892

IUPAC3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C20H23N5O2/c1-14(2)22-20(27)24-16-8-4-3-7-15(16)23-19(26)11-12-25-13-21-17-9-5-6-10-18(17)25/h3-10,13-14H,11-12H2,1-2H3,(H,23,26)(H2,22,24,27)
InChIKeySKCZQMGOUDOKBC-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.60
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide

3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide (PubChem CID 60554892) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
PubChem CID60554892
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C20H23N5O2/c1-14(2)22-20(27)24-16-8-4-3-7-15(16)23-19(26)11-12-25-13-21-17-9-5-6-10-18(17)25/h3-10,13-14H,11-12H2,1-2H3,(H,23,26)(H2,22,24,27)
InChIKeySKCZQMGOUDOKBC-UHFFFAOYSA-N
XLogP3.60
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
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CID 34879800
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 55732676
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
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3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 37294247
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63819900
3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide
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3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134012965
N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16785328
3-(benzimidazol-1-yl)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide
CID 60576832

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide (CID 60554892) is 3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide is CC(C)NC(=O)Nc1ccccc1NC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The InChIKey is SKCZQMGOUDOKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14(2)22-20(27)24-16-8-4-3-7-15(16)23-19(26)11-12-25-13-21-17-9-5-6-10-18(17)25/h3-10,13-14H,11-12H2,1-2H3,(H,23,26)(H2,22,24,27).
What are the key properties of 3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide?
3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide has a molecular weight of 365.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 60554892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).