N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide

C12H12BrN3O — CID 81397436

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide
SMILESC[C@@H](NC(=O)n1ccnc1)c1ccccc1Br
InChIInChI=1S/C12H12BrN3O/c1-9(10-4-2-3-5-11(10)13)15-12(17)16-7-6-14-8-16/h2-9H,1H3,(H,15,17)/t9-/m1/s1
InChIKeyIEPFREDHKOYLSE-SECBINFHSA-N
MW294.15 g/mol
LogP2.96
Rot. Bonds2

About N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide

N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide (PubChem CID 81397436) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide
PubChem CID81397436
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide
SMILESC[C@@H](NC(=O)n1ccnc1)c1ccccc1Br
InChIInChI=1S/C12H12BrN3O/c1-9(10-4-2-3-5-11(10)13)15-12(17)16-7-6-14-8-16/h2-9H,1H3,(H,15,17)/t9-/m1/s1
InChIKeyIEPFREDHKOYLSE-SECBINFHSA-N
XLogP2.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide
CID 81257953
N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide
CID 164927407
N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide
CID 81258195
5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide
CID 9220092
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide
CID 126980828
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
CID 114327349
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 33252364
2-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]-3-methylbutanamide
CID 81383036
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
CID 81397158
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 113416387

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide (CID 81397436) is N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide is C[C@@H](NC(=O)n1ccnc1)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide?
The InChIKey is IEPFREDHKOYLSE-SECBINFHSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-9(10-4-2-3-5-11(10)13)15-12(17)16-7-6-14-8-16/h2-9H,1H3,(H,15,17)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide?
N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 81397436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).