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

C13H18N4 — CID 10704647

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
SMILESCN1CCCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C13H18N4/c1-16-7-4-8-17(10-9-16)13-14-11-5-2-3-6-12(11)15-13/h2-3,5-6H,4,7-10H2,1H3,(H,14,15)
InChIKeyVFSPLPXSWGYUSZ-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.70
Rot. Bonds1

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

2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole (PubChem CID 10704647) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
PubChem CID10704647
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
SMILESCN1CCCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C13H18N4/c1-16-7-4-8-17(10-9-16)13-14-11-5-2-3-6-12(11)15-13/h2-3,5-6H,4,7-10H2,1H3,(H,14,15)
InChIKeyVFSPLPXSWGYUSZ-UHFFFAOYSA-N
XLogP1.70
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 25268868
6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine
CID 75419874
bis(2-(4-ethylpiperazin-1-yl)-1H-benzimidazole);hydrate;tetrahydrochloride
CID 67157381
2-[4-(2-chloroethyl)piperazin-1-yl]-1H-benzimidazole
CID 63392230
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 126816820
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
2-[4-(oxan-4-yl)-1,4-diazepan-1-yl]-1H-benzimidazole
CID 133410388
2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
CID 133481137
1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol
CID 113343734
[1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol
CID 133411172
2-[4-[1-(2,4-difluorophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole
CID 86892522

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole (CID 10704647) is 2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole is CN1CCCN(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole?
The InChIKey is VFSPLPXSWGYUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-16-7-4-8-17(10-9-16)13-14-11-5-2-3-6-12(11)15-13/h2-3,5-6H,4,7-10H2,1H3,(H,14,15).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole?
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole has a molecular weight of 230.32 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole is sourced from PubChem (CID 10704647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).