2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid

C18H16BrN3O2 — CID 67370873

IUPAC2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
SMILESO=C(O)NCCc1ncc(-c2ccc(-c3ccc(Br)cc3)cc2)[nH]1
InChIInChI=1S/C18H16BrN3O2/c19-15-7-5-13(6-8-15)12-1-3-14(4-2-12)16-11-21-17(22-16)9-10-20-18(23)24/h1-8,11,20H,9-10H2,(H,21,22)(H,23,24)
InChIKeyBRMSADKZRBZNBE-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.32
Rot. Bonds5

About 2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid

2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid (PubChem CID 67370873) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
PubChem CID67370873
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
SMILESO=C(O)NCCc1ncc(-c2ccc(-c3ccc(Br)cc3)cc2)[nH]1
InChIInChI=1S/C18H16BrN3O2/c19-15-7-5-13(6-8-15)12-1-3-14(4-2-12)16-11-21-17(22-16)9-10-20-18(23)24/h1-8,11,20H,9-10H2,(H,21,22)(H,23,24)
InChIKeyBRMSADKZRBZNBE-UHFFFAOYSA-N
XLogP4.32
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-[4-(2-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68885650
2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68886449
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68887507
[5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea
CID 143516652
tert-butyl N-[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]butyl]carbamate
CID 91372126
methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 116880250
ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 11953523
butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 16725892
3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]propan-1-ol
CID 111118388
N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852379
3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 136560243
[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
CID 141368702

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid?
The IUPAC name of 2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid (CID 67370873) is 2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid?
The canonical SMILES for 2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid is O=C(O)NCCc1ncc(-c2ccc(-c3ccc(Br)cc3)cc2)[nH]1.
What is the InChIKey of 2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid?
The InChIKey is BRMSADKZRBZNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c19-15-7-5-13(6-8-15)12-1-3-14(4-2-12)16-11-21-17(22-16)9-10-20-18(23)24/h1-8,11,20H,9-10H2,(H,21,22)(H,23,24).
What are the key properties of 2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid?
2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid has a molecular weight of 386.25 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid is sourced from PubChem (CID 67370873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).