2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine

C16H25N5 — CID 82310634

IUPAC2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine
SMILESCc1ccc2c(c1)nc(CN1CCCNCC1)n2CCN
InChIInChI=1S/C16H25N5/c1-13-3-4-15-14(11-13)19-16(21(15)9-5-17)12-20-8-2-6-18-7-10-20/h3-4,11,18H,2,5-10,12,17H2,1H3
InChIKeyRQOIPOIQZJDRRZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.10
Rot. Bonds4

About 2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine

2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine (PubChem CID 82310634) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine
PubChem CID82310634
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine
SMILESCc1ccc2c(c1)nc(CN1CCCNCC1)n2CCN
InChIInChI=1S/C16H25N5/c1-13-3-4-15-14(11-13)19-16(21(15)9-5-17)12-20-8-2-6-18-7-10-20/h3-4,11,18H,2,5-10,12,17H2,1H3
InChIKeyRQOIPOIQZJDRRZ-UHFFFAOYSA-N
XLogP1.10
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316185
2-[5-methyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310629
2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310602
5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316362
3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311837
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069
2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole
CID 62823945
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311687
2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62640925
1-(2-aminoethyl)-5-methylbenzimidazol-2-amine
CID 84771588
5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole
CID 83967757
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine (CID 82310634) is 2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine is Cc1ccc2c(c1)nc(CN1CCCNCC1)n2CCN.
What is the InChIKey of 2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine?
The InChIKey is RQOIPOIQZJDRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-13-3-4-15-14(11-13)19-16(21(15)9-5-17)12-20-8-2-6-18-7-10-20/h3-4,11,18H,2,5-10,12,17H2,1H3.
What are the key properties of 2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine?
2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine is sourced from PubChem (CID 82310634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).