2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate

C14H17N3O3 — CID 79349483

IUPAC2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
SMILESCn1ccnc1C(NC(=O)OCCO)c1ccccc1
InChIInChI=1S/C14H17N3O3/c1-17-8-7-15-13(17)12(11-5-3-2-4-6-11)16-14(19)20-10-9-18/h2-8,12,18H,9-10H2,1H3,(H,16,19)
InChIKeyXKFSYMWZFQUWCE-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.23
Rot. Bonds5

About 2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate

2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate (PubChem CID 79349483) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
PubChem CID79349483
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
SMILESCn1ccnc1C(NC(=O)OCCO)c1ccccc1
InChIInChI=1S/C14H17N3O3/c1-17-8-7-15-13(17)12(11-5-3-2-4-6-11)16-14(19)20-10-9-18/h2-8,12,18H,9-10H2,1H3,(H,16,19)
InChIKeyXKFSYMWZFQUWCE-UHFFFAOYSA-N
XLogP1.23
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
CID 110429248
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 115426635
butyl N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]carbamate
CID 110429456
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
CID 107569369
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate
CID 46533040
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
2-(2-fluorophenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25367645
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide
CID 42924153

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate (CID 79349483) is 2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate is Cn1ccnc1C(NC(=O)OCCO)c1ccccc1.
What is the InChIKey of 2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate?
The InChIKey is XKFSYMWZFQUWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17-8-7-15-13(17)12(11-5-3-2-4-6-11)16-14(19)20-10-9-18/h2-8,12,18H,9-10H2,1H3,(H,16,19).
What are the key properties of 2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate?
2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate has a molecular weight of 275.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate is sourced from PubChem (CID 79349483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).