N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide

C12H14ClN3O — CID 51980487

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESC[C@H](NC(=O)C1=NCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O/c1-8(9-2-4-10(13)5-3-9)16-12(17)11-14-6-7-15-11/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyAIVSFZIXBLAJPG-QMMMGPOBSA-N
MW251.72 g/mol
LogP1.52
Rot. Bonds3

About N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 51980487) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID51980487
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESC[C@H](NC(=O)C1=NCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O/c1-8(9-2-4-10(13)5-3-9)16-12(17)11-14-6-7-15-11/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyAIVSFZIXBLAJPG-QMMMGPOBSA-N
XLogP1.52
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38920019
N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide
CID 10750570
N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42893197
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 51980487) is N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide is C[C@H](NC(=O)C1=NCCN1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is AIVSFZIXBLAJPG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8(9-2-4-10(13)5-3-9)16-12(17)11-14-6-7-15-11/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 251.72 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 51980487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).