N-benzyl-1-(4H-imidazol-5-yl)methanamine

C11H13N3 — CID 126422055

IUPACN-benzyl-1-(4H-imidazol-5-yl)methanamine
SMILESC1=NCC(CNCc2ccccc2)=N1
InChIInChI=1S/C11H13N3/c1-2-4-10(5-3-1)6-12-7-11-8-13-9-14-11/h1-5,9,12H,6-8H2
InChIKeySXXVWNUZFSMOEL-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.26
Rot. Bonds4

About N-benzyl-1-(4H-imidazol-5-yl)methanamine

N-benzyl-1-(4H-imidazol-5-yl)methanamine (PubChem CID 126422055) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-benzyl-1-(4H-imidazol-5-yl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(4H-imidazol-5-yl)methanamine
PubChem CID126422055
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-benzyl-1-(4H-imidazol-5-yl)methanamine
SMILESC1=NCC(CNCc2ccccc2)=N1
InChIInChI=1S/C11H13N3/c1-2-4-10(5-3-1)6-12-7-11-8-13-9-14-11/h1-5,9,12H,6-8H2
InChIKeySXXVWNUZFSMOEL-UHFFFAOYSA-N
XLogP1.26
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4H-imidazol-5-yl)methanamine?
The IUPAC name of N-benzyl-1-(4H-imidazol-5-yl)methanamine (CID 126422055) is N-benzyl-1-(4H-imidazol-5-yl)methanamine.
What is the SMILES notation for N-benzyl-1-(4H-imidazol-5-yl)methanamine?
The canonical SMILES for N-benzyl-1-(4H-imidazol-5-yl)methanamine is C1=NCC(CNCc2ccccc2)=N1.
What is the InChIKey of N-benzyl-1-(4H-imidazol-5-yl)methanamine?
The InChIKey is SXXVWNUZFSMOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-4-10(5-3-1)6-12-7-11-8-13-9-14-11/h1-5,9,12H,6-8H2.
What are the key properties of N-benzyl-1-(4H-imidazol-5-yl)methanamine?
N-benzyl-1-(4H-imidazol-5-yl)methanamine has a molecular weight of 187.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4H-imidazol-5-yl)methanamine is sourced from PubChem (CID 126422055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).