2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole

C15H22N4 — CID 82946850

IUPAC2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(CN3CCCNCC3)[nH]c2c1
InChIInChI=1S/C15H22N4/c1-11-8-12(2)15-13(9-11)17-14(18-15)10-19-6-3-4-16-5-7-19/h8-9,16H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyOIODBFSRWOQQKK-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.98
Rot. Bonds2

About 2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole

2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 82946850) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole
PubChem CID82946850
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(CN3CCCNCC3)[nH]c2c1
InChIInChI=1S/C15H22N4/c1-11-8-12(2)15-13(9-11)17-14(18-15)10-19-6-3-4-16-5-7-19/h8-9,16H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyOIODBFSRWOQQKK-UHFFFAOYSA-N
XLogP1.98
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-ylmethyl)-4,6-difluoro-1H-benzimidazole
CID 81449105
6-bromo-2-(1,4-diazepan-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 62823234
molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 158153397
2-(1,4-diazepan-1-ylmethyl)-6-methylsulfonyl-1H-benzimidazole
CID 62823587
3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole
CID 84636758
1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 82947211
1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
CID 82946594
2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole
CID 82946869
4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole
CID 112556569
2-(2-cyclopentylethyl)-4,6-dimethyl-1H-benzimidazole
CID 82947663
2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole
CID 82947050
2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid
CID 3159719

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole (CID 82946850) is 2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole is Cc1cc(C)c2nc(CN3CCCNCC3)[nH]c2c1.
What is the InChIKey of 2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is OIODBFSRWOQQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11-8-12(2)15-13(9-11)17-14(18-15)10-19-6-3-4-16-5-7-19/h8-9,16H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of 2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole?
2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole has a molecular weight of 258.37 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 82946850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).