N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide

C15H21N3O — CID 751155

IUPACN-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
SMILESCCCn1c([C@@H](C)NC(=O)CC)nc2ccccc21
InChIInChI=1S/C15H21N3O/c1-4-10-18-13-9-7-6-8-12(13)17-15(18)11(3)16-14(19)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,16,19)/t11-/m1/s1
InChIKeyHMPSGLCMRVRNHY-LLVKDONJSA-N
MW259.35 g/mol
LogP3.03
Rot. Bonds5

About N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide

N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide (PubChem CID 751155) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
PubChem CID751155
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
SMILESCCCn1c([C@@H](C)NC(=O)CC)nc2ccccc21
InChIInChI=1S/C15H21N3O/c1-4-10-18-13-9-7-6-8-12(13)17-15(18)11(3)16-14(19)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,16,19)/t11-/m1/s1
InChIKeyHMPSGLCMRVRNHY-LLVKDONJSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 5013260
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 17009463
4-fluoro-N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 751168
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968611

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide (CID 751155) is N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide is CCCn1c([C@@H](C)NC(=O)CC)nc2ccccc21.
What is the InChIKey of N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide?
The InChIKey is HMPSGLCMRVRNHY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-10-18-13-9-7-6-8-12(13)17-15(18)11(3)16-14(19)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,16,19)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide?
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide has a molecular weight of 259.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 751155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).