N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine

C15H19N3 — CID 24715628

IUPACN-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
SMILESc1ccc(Cn2ccnc2CNCC2CC2)cc1
InChIInChI=1S/C15H19N3/c1-2-4-14(5-3-1)12-18-9-8-17-15(18)11-16-10-13-6-7-13/h1-5,8-9,13,16H,6-7,10-12H2
InChIKeyXUMWIYOAXIDBGD-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.43
Rot. Bonds6

About N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine

N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine (PubChem CID 24715628) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
PubChem CID24715628
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
SMILESc1ccc(Cn2ccnc2CNCC2CC2)cc1
InChIInChI=1S/C15H19N3/c1-2-4-14(5-3-1)12-18-9-8-17-15(18)11-16-10-13-6-7-13/h1-5,8-9,13,16H,6-7,10-12H2
InChIKeyXUMWIYOAXIDBGD-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-Benzyl-3-methylimidazolium Chloride
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1-Benzyl-3-cetyl-2-methylimidazolium iodide
CID 10436839
4-(Imidazol-1-ylmethyl)benzonitrile
CID 1236449
Efetozole
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4-(1-Imidazol-1-yl-vinyl)-benzonitrile
CID 11819989
1-(biphenyl-4-ylmethyl)-1H-imidazole
CID 12229396
1-(4-Aminobenzyl)-1H-imidazole
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CID 15984072

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine (CID 24715628) is N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine is c1ccc(Cn2ccnc2CNCC2CC2)cc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine?
The InChIKey is XUMWIYOAXIDBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-4-14(5-3-1)12-18-9-8-17-15(18)11-16-10-13-6-7-13/h1-5,8-9,13,16H,6-7,10-12H2.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine?
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine is sourced from PubChem (CID 24715628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).