N-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine

C14H16ClN3O — CID 167957685

IUPACN-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine
SMILESCOCc1cc(NC2CCn3ccnc32)ccc1Cl
InChIInChI=1S/C14H16ClN3O/c1-19-9-10-8-11(2-3-12(10)15)17-13-4-6-18-7-5-16-14(13)18/h2-3,5,7-8,13,17H,4,6,9H2,1H3
InChIKeyMAIDUADXCCYPSM-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.24
Rot. Bonds4

About N-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine

N-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine (PubChem CID 167957685) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine
PubChem CID167957685
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine
SMILESCOCc1cc(NC2CCn3ccnc32)ccc1Cl
InChIInChI=1S/C14H16ClN3O/c1-19-9-10-8-11(2-3-12(10)15)17-13-4-6-18-7-5-16-14(13)18/h2-3,5,7-8,13,17H,4,6,9H2,1H3
InChIKeyMAIDUADXCCYPSM-UHFFFAOYSA-N
XLogP3.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine?
The IUPAC name of N-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine (CID 167957685) is N-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine.
What is the SMILES notation for N-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine?
The canonical SMILES for N-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine is COCc1cc(NC2CCn3ccnc32)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine?
The InChIKey is MAIDUADXCCYPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-19-9-10-8-11(2-3-12(10)15)17-13-4-6-18-7-5-16-14(13)18/h2-3,5,7-8,13,17H,4,6,9H2,1H3.
What are the key properties of N-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine?
N-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine has a molecular weight of 277.76 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine is sourced from PubChem (CID 167957685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).