2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole

C16H24N4O — CID 62823945

IUPAC2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1c(CN2CCCNCC2)nc2ccccc21
InChIInChI=1S/C16H24N4O/c1-21-12-11-20-15-6-3-2-5-14(15)18-16(20)13-19-9-4-7-17-8-10-19/h2-3,5-6,17H,4,7-13H2,1H3
InChIKeyFFQZWMFQHBMIOE-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.48
Rot. Bonds5

About 2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole

2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole (PubChem CID 62823945) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole
PubChem CID62823945
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1c(CN2CCCNCC2)nc2ccccc21
InChIInChI=1S/C16H24N4O/c1-21-12-11-20-15-6-3-2-5-14(15)18-16(20)13-19-9-4-7-17-8-10-19/h2-3,5-6,17H,4,7-13H2,1H3
InChIKeyFFQZWMFQHBMIOE-UHFFFAOYSA-N
XLogP1.48
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-diazepan-1-ylmethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 58780378
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
3-(2-methoxyethyl)-2-(piperazin-1-ylmethyl)benzimidazole-5-carboxylic acid
CID 159485240
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689788
1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole
CID 62389696
2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole
CID 62389155
2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine
CID 19911562
2-(azepan-1-ylmethyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 18885338
1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18885019
2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine
CID 82310634
2-(azepan-1-ylmethyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 18885411

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole?
The IUPAC name of 2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole (CID 62823945) is 2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole.
What is the SMILES notation for 2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole?
The canonical SMILES for 2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole is COCCn1c(CN2CCCNCC2)nc2ccccc21.
What is the InChIKey of 2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole?
The InChIKey is FFQZWMFQHBMIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-21-12-11-20-15-6-3-2-5-14(15)18-16(20)13-19-9-4-7-17-8-10-19/h2-3,5-6,17H,4,7-13H2,1H3.
What are the key properties of 2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole?
2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole has a molecular weight of 288.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole is sourced from PubChem (CID 62823945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).