1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane

C15H21N5 — CID 3597309

IUPAC1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane
SMILESc1ccc(CN2CCCN(Cc3ncc[nH]3)CC2)nc1
InChIInChI=1S/C15H21N5/c1-2-5-16-14(4-1)12-19-8-3-9-20(11-10-19)13-15-17-6-7-18-15/h1-2,4-7H,3,8-13H2,(H,17,18)
InChIKeyGPGLAYMNLZXWTP-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.51
Rot. Bonds4

About 1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane

1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane (PubChem CID 3597309) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane
PubChem CID3597309
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane
SMILESc1ccc(CN2CCCN(Cc3ncc[nH]3)CC2)nc1
InChIInChI=1S/C15H21N5/c1-2-5-16-14(4-1)12-19-8-3-9-20(11-10-19)13-15-17-6-7-18-15/h1-2,4-7H,3,8-13H2,(H,17,18)
InChIKeyGPGLAYMNLZXWTP-UHFFFAOYSA-N
XLogP1.51
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane
CID 95811332
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine
CID 95816983
ethane;1-(1H-imidazol-2-ylmethyl)piperidine
CID 145119254
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
1-(1H-imidazol-2-ylmethyl)-4-phenyl-6-(pyridin-2-ylmethyl)-1,4-diazepane
CID 110264524
1-(1H-imidazol-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 122137115
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
bis(acetonitrile);1,4-bis(pyridin-2-ylmethyl)-1,4-diazepane;nickel(2+);bis(tetraphenylboranuide)
CID 139171280
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
N-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide
CID 54765643
1-[(2-methoxypyrimidin-5-yl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 131901461
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane (CID 3597309) is 1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane is c1ccc(CN2CCCN(Cc3ncc[nH]3)CC2)nc1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane?
The InChIKey is GPGLAYMNLZXWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-5-16-14(4-1)12-19-8-3-9-20(11-10-19)13-15-17-6-7-18-15/h1-2,4-7H,3,8-13H2,(H,17,18).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane?
1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane has a molecular weight of 271.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 3597309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).