N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine

C17H17N3 — CID 164896206

IUPACN-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine
SMILESc1ccc(CNC(c2ccccc2)c2cnc[nH]2)cc1
InChIInChI=1S/C17H17N3/c1-3-7-14(8-4-1)11-19-17(16-12-18-13-20-16)15-9-5-2-6-10-15/h1-10,12-13,17,19H,11H2,(H,18,20)
InChIKeyKUXYAGBWAAZOLJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.29
Rot. Bonds5

About N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine

N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine (PubChem CID 164896206) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine
PubChem CID164896206
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine
SMILESc1ccc(CNC(c2ccccc2)c2cnc[nH]2)cc1
InChIInChI=1S/C17H17N3/c1-3-7-14(8-4-1)11-19-17(16-12-18-13-20-16)15-9-5-2-6-10-15/h1-10,12-13,17,19H,11H2,(H,18,20)
InChIKeyKUXYAGBWAAZOLJ-UHFFFAOYSA-N
XLogP3.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine
CID 136561379
N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine
CID 167845313
N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine
CID 63109462
(1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine
CID 86338233
N-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine
CID 68862877
2-chloro-6-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol
CID 91110726
4-[[1H-imidazol-5-yl(phenyl)methyl]amino]benzene-1,3-diol
CID 91142049
ethane;5-(1-phenylethyl)-1H-imidazole
CID 123176556
(2S)-N-benzyl-1-chloro-3-(1H-imidazol-5-yl)propan-2-amine
CID 7205295
(2R)-2-(benzylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 22798985
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
(1R)-N-benzyl-1-(7-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-1-phenylmethanamine
CID 99645783

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine?
The IUPAC name of N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine (CID 164896206) is N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine?
The canonical SMILES for N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine is c1ccc(CNC(c2ccccc2)c2cnc[nH]2)cc1.
What is the InChIKey of N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine?
The InChIKey is KUXYAGBWAAZOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-7-14(8-4-1)11-19-17(16-12-18-13-20-16)15-9-5-2-6-10-15/h1-10,12-13,17,19H,11H2,(H,18,20).
What are the key properties of N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine?
N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine is sourced from PubChem (CID 164896206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).