1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane

C15H24N6 — CID 101485956

IUPAC1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane
SMILESCc1[nH]cnc1CN1CCCN(Cc2nc[nH]c2C)CC1
InChIInChI=1S/C15H24N6/c1-12-14(18-10-16-12)8-20-4-3-5-21(7-6-20)9-15-13(2)17-11-19-15/h10-11H,3-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYXCSYKDSSDLXAN-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.46
Rot. Bonds4

About 1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane

1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane (PubChem CID 101485956) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane
PubChem CID101485956
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane
SMILESCc1[nH]cnc1CN1CCCN(Cc2nc[nH]c2C)CC1
InChIInChI=1S/C15H24N6/c1-12-14(18-10-16-12)8-20-4-3-5-21(7-6-20)9-15-13(2)17-11-19-15/h10-11H,3-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYXCSYKDSSDLXAN-UHFFFAOYSA-N
XLogP1.46
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine
CID 30982079
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine
CID 95861049
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70721798
4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
CID 70737667
2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine
CID 91832687
(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124956560
2-methyl-6-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 127246127
3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole
CID 74233728
1-[[4-methyl-5-[(3S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95861036
2-ethyl-1-[9-[(5-methyl-1H-imidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]butan-1-one
CID 56891421
N-methyl-4-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 125012536
3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
CID 132764280

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane?
The IUPAC name of 1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane (CID 101485956) is 1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane.
What is the SMILES notation for 1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane?
The canonical SMILES for 1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane is Cc1[nH]cnc1CN1CCCN(Cc2nc[nH]c2C)CC1.
What is the InChIKey of 1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane?
The InChIKey is YXCSYKDSSDLXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-12-14(18-10-16-12)8-20-4-3-5-21(7-6-20)9-15-13(2)17-11-19-15/h10-11H,3-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane?
1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane has a molecular weight of 288.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane is sourced from PubChem (CID 101485956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).