3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate

C12H19N3O2 — CID 10490047

IUPAC3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate
SMILESO=C(NCC1CCC1)OCCCc1cnc[nH]1
InChIInChI=1S/C12H19N3O2/c16-12(14-7-10-3-1-4-10)17-6-2-5-11-8-13-9-15-11/h8-10H,1-7H2,(H,13,15)(H,14,16)
InChIKeyYYJUMVZTBVUQRD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.87
Rot. Bonds6

About 3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate

3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate (PubChem CID 10490047) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate
PubChem CID10490047
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate
SMILESO=C(NCC1CCC1)OCCCc1cnc[nH]1
InChIInChI=1S/C12H19N3O2/c16-12(14-7-10-3-1-4-10)17-6-2-5-11-8-13-9-15-11/h8-10H,1-7H2,(H,13,15)(H,14,16)
InChIKeyYYJUMVZTBVUQRD-UHFFFAOYSA-N
XLogP1.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Fub 465
CID 9989449
(R)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate
CID 10680721
(S)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate
CID 10489384
Cyclohexylmethyl N-[(1R,2R)-2-(3H-imidazol-4-yl)cyclopropyl]carbamate
CID 9860053
Dicyclopropylmethyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester;C2H2O4
CID 10978306
3-(1H-imidazol-5-yl)propyl N-(2-methylpentyl)carbamate
CID 10515050
(R)-3-(1H-imidazol-4-yl)propyl heptan-2-ylcarbamate
CID 10515993
(R)-3-(1H-imidazol-4-yl)propyl pentan-2-ylcarbamate
CID 10537958
Ethyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10679435
(S)-3-(1H-imidazol-4-yl)propyl 2-methylbutylcarbamate
CID 10776393
(R)-3-(1H-imidazol-4-yl)propyl hexan-2-ylcarbamate
CID 10777275
3-(1H-imidazol-5-yl)propyl N-heptan-2-ylcarbamate
CID 10015825

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate (CID 10490047) is 3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate is O=C(NCC1CCC1)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate?
The InChIKey is YYJUMVZTBVUQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-12(14-7-10-3-1-4-10)17-6-2-5-11-8-13-9-15-11/h8-10H,1-7H2,(H,13,15)(H,14,16).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate?
3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)propyl N-(cyclobutylmethyl)carbamate is sourced from PubChem (CID 10490047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).