phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate

C19H19N3O2 — CID 171801207

IUPACphenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
SMILESCc1nccn1C(C)c1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-14(22-13-12-20-15(22)2)16-8-10-17(11-9-16)21-19(23)24-18-6-4-3-5-7-18/h3-14H,1-2H3,(H,21,23)
InChIKeyOGNISHSKRVZTQS-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.41
Rot. Bonds4

About phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate

phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate (PubChem CID 171801207) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
PubChem CID171801207
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namephenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
SMILESCc1nccn1C(C)c1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-14(22-13-12-20-15(22)2)16-8-10-17(11-9-16)21-19(23)24-18-6-4-3-5-7-18/h3-14H,1-2H3,(H,21,23)
InChIKeyOGNISHSKRVZTQS-UHFFFAOYSA-N
XLogP4.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
CID 171801428
N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide
CID 171801254
1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801414
1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea
CID 171801089
1-[(4-fluoro-2-pyridinyl)methyl]-3-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801164
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
phenyl N-(4-iodophenyl)carbamate
CID 73442286
phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate
CID 106911564
(1S,4R)-1-ethyl-N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-2-oxabicyclo[2.2.1]heptane-4-carboxamide
CID 171801410
[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
CID 19076921
phenyl N-(6-fluoro-3-pyridinyl)carbamate
CID 59313675

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate?
The IUPAC name of phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate (CID 171801207) is phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate.
What is the SMILES notation for phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate?
The canonical SMILES for phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate is Cc1nccn1C(C)c1ccc(NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate?
The InChIKey is OGNISHSKRVZTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(22-13-12-20-15(22)2)16-8-10-17(11-9-16)21-19(23)24-18-6-4-3-5-7-18/h3-14H,1-2H3,(H,21,23).
What are the key properties of phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate?
phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate has a molecular weight of 321.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate is sourced from PubChem (CID 171801207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).