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

C14H19N5 — CID 95811332

IUPAC1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane
SMILESc1ccc(N2CCCN(Cc3ncc[nH]3)CC2)nc1
InChIInChI=1S/C14H19N5/c1-2-5-17-14(4-1)19-9-3-8-18(10-11-19)12-13-15-6-7-16-13/h1-2,4-7H,3,8-12H2,(H,15,16)
InChIKeyDCVXHYHUPZMATK-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.52
Rot. Bonds3

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

1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane (PubChem CID 95811332) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane
PubChem CID95811332
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane
SMILESc1ccc(N2CCCN(Cc3ncc[nH]3)CC2)nc1
InChIInChI=1S/C14H19N5/c1-2-5-17-14(4-1)19-9-3-8-18(10-11-19)12-13-15-6-7-16-13/h1-2,4-7H,3,8-12H2,(H,15,16)
InChIKeyDCVXHYHUPZMATK-UHFFFAOYSA-N
XLogP1.52
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 3597309
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
2-(4-pyridin-2-yl-1,4-diazepan-1-yl)acetonitrile
CID 136531044
ethane;1-(1H-imidazol-2-ylmethyl)piperidine
CID 145119254
1-[(5-phenyl-1H-imidazol-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 10193294
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine
CID 30982079
4-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 50980313
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine
CID 95816983
1-(2-ethoxyethyl)-4-pyridin-2-yl-1,4-diazepane
CID 75506679
1-(1H-imidazol-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 122137115
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane (CID 95811332) is 1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane is c1ccc(N2CCCN(Cc3ncc[nH]3)CC2)nc1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane?
The InChIKey is DCVXHYHUPZMATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-5-17-14(4-1)19-9-3-8-18(10-11-19)12-13-15-6-7-16-13/h1-2,4-7H,3,8-12H2,(H,15,16).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane?
1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane has a molecular weight of 257.34 g/mol, XLogP of 1.52, 3 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-yl-1,4-diazepane is sourced from PubChem (CID 95811332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).