[2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine

C11H15N3O — CID 79004507

IUPAC[2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine
SMILESCOCCc1nc2ccc(CN)cc2[nH]1
InChIInChI=1S/C11H15N3O/c1-15-5-4-11-13-9-3-2-8(7-12)6-10(9)14-11/h2-3,6H,4-5,7,12H2,1H3,(H,13,14)
InChIKeyJTLKQUZPWJIUJC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.21
Rot. Bonds4

About [2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine

[2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 79004507) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is [2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine
PubChem CID79004507
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name[2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine
SMILESCOCCc1nc2ccc(CN)cc2[nH]1
InChIInChI=1S/C11H15N3O/c1-15-5-4-11-13-9-3-2-8(7-12)6-10(9)14-11/h2-3,6H,4-5,7,12H2,1H3,(H,13,14)
InChIKeyJTLKQUZPWJIUJC-UHFFFAOYSA-N
XLogP1.21
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-butyl-3H-benzimidazol-5-yl)methanamine
CID 79004472
[2-(methylaminomethyl)-3H-benzimidazol-5-yl]methanamine
CID 83949221
[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine
CID 79004539
2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 170650587
7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one
CID 177146036
N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 82335944
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728
[2-(thian-4-ylmethyl)-3H-benzimidazol-5-yl]methanamine
CID 83135372
[2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine
CID 79004444
[2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004415
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-benzimidazole
CID 66737942
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine (CID 79004507) is [2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine is COCCc1nc2ccc(CN)cc2[nH]1.
What is the InChIKey of [2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is JTLKQUZPWJIUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-15-5-4-11-13-9-3-2-8(7-12)6-10(9)14-11/h2-3,6H,4-5,7,12H2,1H3,(H,13,14).
What are the key properties of [2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine?
[2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 205.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 79004507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).