N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide

C17H24N4O2 — CID 17029919

IUPACN-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1nc2ccccc2n1CC(=O)NC(C)C
InChIInChI=1S/C17H24N4O2/c1-5-15(22)19-12(4)17-20-13-8-6-7-9-14(13)21(17)10-16(23)18-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,18,23)(H,19,22)
InChIKeyRMGWIISRSZVMJW-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.15
Rot. Bonds6

About N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide

N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide (PubChem CID 17029919) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
PubChem CID17029919
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1nc2ccccc2n1CC(=O)NC(C)C
InChIInChI=1S/C17H24N4O2/c1-5-15(22)19-12(4)17-20-13-8-6-7-9-14(13)21(17)10-16(23)18-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,18,23)(H,19,22)
InChIKeyRMGWIISRSZVMJW-UHFFFAOYSA-N
XLogP2.15
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 43667741
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030116
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide
CID 16968848
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968587
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide
CID 17030013

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide (CID 17029919) is N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide is CCC(=O)NC(C)c1nc2ccccc2n1CC(=O)NC(C)C.
What is the InChIKey of N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is RMGWIISRSZVMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-5-15(22)19-12(4)17-20-13-8-6-7-9-14(13)21(17)10-16(23)18-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,18,23)(H,19,22).
What are the key properties of N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide?
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 316.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 17029919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).