N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine

C15H18BrN3 — CID 43734382

IUPACN-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
SMILESBrc1ccccc1CNC1CCCC1n1ccnc1
InChIInChI=1S/C15H18BrN3/c16-13-5-2-1-4-12(13)10-18-14-6-3-7-15(14)19-9-8-17-11-19/h1-2,4-5,8-9,11,14-15,18H,3,6-7,10H2
InChIKeyUAJFKUKFYDOSQE-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.53
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine

N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine (PubChem CID 43734382) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
PubChem CID43734382
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
SMILESBrc1ccccc1CNC1CCCC1n1ccnc1
InChIInChI=1S/C15H18BrN3/c16-13-5-2-1-4-12(13)10-18-14-6-3-7-15(14)19-9-8-17-11-19/h1-2,4-5,8-9,11,14-15,18H,3,6-7,10H2
InChIKeyUAJFKUKFYDOSQE-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine (CID 43734382) is N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine is Brc1ccccc1CNC1CCCC1n1ccnc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
The InChIKey is UAJFKUKFYDOSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c16-13-5-2-1-4-12(13)10-18-14-6-3-7-15(14)19-9-8-17-11-19/h1-2,4-5,8-9,11,14-15,18H,3,6-7,10H2.
What are the key properties of N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine is sourced from PubChem (CID 43734382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).