N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine

C14H20N4 — CID 107367343

IUPACN'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)Cc1cnc[nH]1
InChIInChI=1S/C14H20N4/c15-7-4-8-18(11-14-9-16-12-17-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,12H,4,7-8,10-11,15H2,(H,16,17)
InChIKeyKNHSRNGOPOHZKV-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.76
Rot. Bonds7

About N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine

N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine (PubChem CID 107367343) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine
PubChem CID107367343
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)Cc1cnc[nH]1
InChIInChI=1S/C14H20N4/c15-7-4-8-18(11-14-9-16-12-17-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,12H,4,7-8,10-11,15H2,(H,16,17)
InChIKeyKNHSRNGOPOHZKV-UHFFFAOYSA-N
XLogP1.76
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-chloro-N-(1H-imidazol-5-ylmethyl)ethanamine;dihydrochloride
CID 22335194
N-benzyl-2-chloro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 167225964
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236
N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine
CID 107365079
N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 107365130
N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide
CID 142002691
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
N-(1H-imidazol-5-ylmethyl)-N-phenylaniline
CID 59728125
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine (CID 107367343) is N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine is NCCCN(Cc1ccccc1)Cc1cnc[nH]1.
What is the InChIKey of N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine?
The InChIKey is KNHSRNGOPOHZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-7-4-8-18(11-14-9-16-12-17-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,12H,4,7-8,10-11,15H2,(H,16,17).
What are the key properties of N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine?
N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 107367343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).