2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole

C15H22N4 — CID 84637470

IUPAC2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole
SMILESCC(C)c1cccc2[nH]c(N3CCCNCC3)nc12
InChIInChI=1S/C15H22N4/c1-11(2)12-5-3-6-13-14(12)18-15(17-13)19-9-4-7-16-8-10-19/h3,5-6,11,16H,4,7-10H2,1-2H3,(H,17,18)
InChIKeyHEIJGZPJEBKRCA-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.49
Rot. Bonds2

About 2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole

2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole (PubChem CID 84637470) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole
PubChem CID84637470
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole
SMILESCC(C)c1cccc2[nH]c(N3CCCNCC3)nc12
InChIInChI=1S/C15H22N4/c1-11(2)12-5-3-6-13-14(12)18-15(17-13)19-9-4-7-16-8-10-19/h3,5-6,11,16H,4,7-10H2,1-2H3,(H,17,18)
InChIKeyHEIJGZPJEBKRCA-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine
CID 71637411
2-(1,4-diazepan-1-yl)-6-methyl-1H-benzimidazole
CID 71022581
2-(1,4-diazepan-1-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63556237
1-(2-propan-2-ylphenyl)piperazine
CID 3608822
2-methyl-4-piperazin-1-yl-1H-benzimidazole
CID 13180225
4,5,7-tribromo-2-(1,4-diazepan-1-yl)-6-methyl-1H-benzimidazole
CID 123678179
4-benzyl-2-piperidin-1-yl-1H-benzimidazole
CID 54081278
methyl 4-propan-2-yl-1H-benzimidazole-2-carboxylate
CID 135165634
4-(1,4-diazepan-1-yl)-1H-benzimidazole
CID 13180229
1-(3-methyltriazol-4-yl)-1,4-diazepane
CID 114689941
4-bromo-2-(4,4-difluoropiperidin-1-yl)-1H-benzimidazole
CID 171842001
4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole
CID 84629087

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole?
The IUPAC name of 2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole (CID 84637470) is 2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole is CC(C)c1cccc2[nH]c(N3CCCNCC3)nc12.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole?
The InChIKey is HEIJGZPJEBKRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11(2)12-5-3-6-13-14(12)18-15(17-13)19-9-4-7-16-8-10-19/h3,5-6,11,16H,4,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole?
2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole has a molecular weight of 258.37 g/mol, XLogP of 2.49, 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-yl)-4-propan-2-yl-1H-benzimidazole is sourced from PubChem (CID 84637470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).