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

C16H21N3O2 — CID 68887507

IUPAC2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
SMILESCC(C)Cc1ccc(-c2cnc(CCNC(=O)O)[nH]2)cc1
InChIInChI=1S/C16H21N3O2/c1-11(2)9-12-3-5-13(6-4-12)14-10-18-15(19-14)7-8-17-16(20)21/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyDVFSSPVOUKPSQR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.09
Rot. Bonds6

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

2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid (PubChem CID 68887507) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
PubChem CID68887507
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
SMILESCC(C)Cc1ccc(-c2cnc(CCNC(=O)O)[nH]2)cc1
InChIInChI=1S/C16H21N3O2/c1-11(2)9-12-3-5-13(6-4-12)14-10-18-15(19-14)7-8-17-16(20)21/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyDVFSSPVOUKPSQR-UHFFFAOYSA-N
XLogP3.09
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid?
The IUPAC name of 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid (CID 68887507) is 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid?
The canonical SMILES for 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid is CC(C)Cc1ccc(-c2cnc(CCNC(=O)O)[nH]2)cc1.
What is the InChIKey of 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid?
The InChIKey is DVFSSPVOUKPSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)9-12-3-5-13(6-4-12)14-10-18-15(19-14)7-8-17-16(20)21/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid?
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid has a molecular weight of 287.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid is sourced from PubChem (CID 68887507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).