methyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid

C14H19N3O2 — CID 67217571

IUPACmethyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid
SMILESCN(CCc1ccc(C2=NCCN2C)cc1)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-16-10-8-15-13(16)12-5-3-11(4-6-12)7-9-17(2)14(18)19/h3-6H,7-10H2,1-2H3,(H,18,19)
InChIKeyCMVYIIMVEPBPFC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.53
Rot. Bonds4

About methyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid

methyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid (PubChem CID 67217571) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid
PubChem CID67217571
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namemethyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid
SMILESCN(CCc1ccc(C2=NCCN2C)cc1)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-16-10-8-15-13(16)12-5-3-11(4-6-12)7-9-17(2)14(18)19/h3-6H,7-10H2,1-2H3,(H,18,19)
InChIKeyCMVYIIMVEPBPFC-UHFFFAOYSA-N
XLogP1.53
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid?
The IUPAC name of methyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid (CID 67217571) is methyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid.
What is the SMILES notation for methyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid?
The canonical SMILES for methyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid is CN(CCc1ccc(C2=NCCN2C)cc1)C(=O)O.
What is the InChIKey of methyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid?
The InChIKey is CMVYIIMVEPBPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-10-8-15-13(16)12-5-3-11(4-6-12)7-9-17(2)14(18)19/h3-6H,7-10H2,1-2H3,(H,18,19).
What are the key properties of methyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid?
methyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid has a molecular weight of 261.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid is sourced from PubChem (CID 67217571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).