N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide

C17H16BrN3O — CID 18116415

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1ccc(Br)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H16BrN3O/c1-11(17-20-14-4-2-3-5-15(14)21-17)19-16(22)10-12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKeyKZWCPRURJFLGOZ-NSHDSACASA-N
MW358.24 g/mol
LogP3.75
Rot. Bonds4

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide (PubChem CID 18116415) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
PubChem CID18116415
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1ccc(Br)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H16BrN3O/c1-11(17-20-14-4-2-3-5-15(14)21-17)19-16(22)10-12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKeyKZWCPRURJFLGOZ-NSHDSACASA-N
XLogP3.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 75136988
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 18116312
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 25345580
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(4-bromophenyl)acetamide
CID 4877413
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 18121491
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 73420210
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide
CID 86988501
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60592565
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide (CID 18116415) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide is C[C@H](NC(=O)Cc1ccc(Br)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide?
The InChIKey is KZWCPRURJFLGOZ-NSHDSACASA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-11(17-20-14-4-2-3-5-15(14)21-17)19-16(22)10-12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide has a molecular weight of 358.24 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 18116415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).