4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine

C15H22N4O — CID 103388549

IUPAC4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H22N4O/c1-20-10-14(3-2-8-16)19-13-6-4-12(5-7-13)15-9-17-11-18-15/h4-7,9,11,14,19H,2-3,8,10,16H2,1H3,(H,17,18)
InChIKeyHMILXPRQHMZKOU-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.24
Rot. Bonds8

About 4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine

4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine (PubChem CID 103388549) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine
PubChem CID103388549
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H22N4O/c1-20-10-14(3-2-8-16)19-13-6-4-12(5-7-13)15-9-17-11-18-15/h4-7,9,11,14,19H,2-3,8,10,16H2,1H3,(H,17,18)
InChIKeyHMILXPRQHMZKOU-UHFFFAOYSA-N
XLogP2.24
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine (CID 103388549) is 4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine is COCC(CCCN)Nc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine?
The InChIKey is HMILXPRQHMZKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-20-10-14(3-2-8-16)19-13-6-4-12(5-7-13)15-9-17-11-18-15/h4-7,9,11,14,19H,2-3,8,10,16H2,1H3,(H,17,18).
What are the key properties of 4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine?
4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103388549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).