methyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate

C19H25FN4O2 — CID 118313433

IUPACmethyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1cc(C(C)NC2CC2)nc1-c1cccc(F)c1
InChIInChI=1S/C19H25FN4O2/c1-13(22-16-7-8-16)17-12-24(10-4-9-21-19(25)26-2)18(23-17)14-5-3-6-15(20)11-14/h3,5-6,11-13,16,22H,4,7-10H2,1-2H3,(H,21,25)
InChIKeyABWOAUWLQZDNQB-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.25
Rot. Bonds8

About methyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate

methyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate (PubChem CID 118313433) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is methyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate
PubChem CID118313433
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Namemethyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1cc(C(C)NC2CC2)nc1-c1cccc(F)c1
InChIInChI=1S/C19H25FN4O2/c1-13(22-16-7-8-16)17-12-24(10-4-9-21-19(25)26-2)18(23-17)14-5-3-6-15(20)11-14/h3,5-6,11-13,16,22H,4,7-10H2,1-2H3,(H,21,25)
InChIKeyABWOAUWLQZDNQB-UHFFFAOYSA-N
XLogP3.25
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(3-fluorophenyl)pyrazol-1-yl]propyl]carbamate
CID 90065264
methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate
CID 118313424
methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate
CID 118313436
methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate
CID 118313374
methyl N-[3-[2-[(1R)-1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]-5-(3-fluorophenyl)-1,3-thiazol-4-yl]propyl]carbamate
CID 162265587
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
(3S)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 95085693
(2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
CID 38958525
methyl N-[(4R,5S)-4-(3-fluorophenyl)-5-methylnonyl]carbamate
CID 143486973
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
methyl N-[2-[(R)-[(3R)-1-[ethylamino(propan-2-yl)carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate
CID 68712849
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butylcarbamic acid
CID 67267712

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate (CID 118313433) is methyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate is COC(=O)NCCCn1cc(C(C)NC2CC2)nc1-c1cccc(F)c1.
What is the InChIKey of methyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate?
The InChIKey is ABWOAUWLQZDNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-13(22-16-7-8-16)17-12-24(10-4-9-21-19(25)26-2)18(23-17)14-5-3-6-15(20)11-14/h3,5-6,11-13,16,22H,4,7-10H2,1-2H3,(H,21,25).
What are the key properties of methyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate?
methyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate has a molecular weight of 360.43 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate is sourced from PubChem (CID 118313433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).