N-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C16H19ClN4 — CID 82824103

IUPACN-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESClc1cccc(NC2CCN3CCCC23)c1-n1ccnc1
InChIInChI=1S/C16H19ClN4/c17-12-3-1-4-14(16(12)21-10-7-18-11-21)19-13-6-9-20-8-2-5-15(13)20/h1,3-4,7,10-11,13,15,19H,2,5-6,8-9H2
InChIKeyCDBDFOIEWWIAIN-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.17
Rot. Bonds3

About N-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82824103) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82824103
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC NameN-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESClc1cccc(NC2CCN3CCCC23)c1-n1ccnc1
InChIInChI=1S/C16H19ClN4/c17-12-3-1-4-14(16(12)21-10-7-18-11-21)19-13-6-9-20-8-2-5-15(13)20/h1,3-4,7,10-11,13,15,19H,2,5-6,8-9H2
InChIKeyCDBDFOIEWWIAIN-UHFFFAOYSA-N
XLogP3.17
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82824103) is N-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is Clc1cccc(NC2CCN3CCCC23)c1-n1ccnc1.
What is the InChIKey of N-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is CDBDFOIEWWIAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-12-3-1-4-14(16(12)21-10-7-18-11-21)19-13-6-9-20-8-2-5-15(13)20/h1,3-4,7,10-11,13,15,19H,2,5-6,8-9H2.
What are the key properties of N-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 302.81 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82824103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).