N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide

C16H23N3O — CID 751204

IUPACN-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)N[C@@H](C)c1nc2ccccc2n1CC(C)C
InChIInChI=1S/C16H23N3O/c1-5-15(20)17-12(4)16-18-13-8-6-7-9-14(13)19(16)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,17,20)/t12-/m0/s1
InChIKeyVBBDCINPCPQGSY-LBPRGKRZSA-N
MW273.38 g/mol
LogP3.28
Rot. Bonds5

About N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide

N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide (PubChem CID 751204) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
PubChem CID751204
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)N[C@@H](C)c1nc2ccccc2n1CC(C)C
InChIInChI=1S/C16H23N3O/c1-5-15(20)17-12(4)16-18-13-8-6-7-9-14(13)19(16)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,17,20)/t12-/m0/s1
InChIKeyVBBDCINPCPQGSY-LBPRGKRZSA-N
XLogP3.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969160
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969940
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-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965365
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
4-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009618
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968587

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide (CID 751204) is N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide is CCC(=O)N[C@@H](C)c1nc2ccccc2n1CC(C)C.
What is the InChIKey of N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is VBBDCINPCPQGSY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-15(20)17-12(4)16-18-13-8-6-7-9-14(13)19(16)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,17,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide?
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 273.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 751204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).