[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine

C14H21N3O — CID 65038230

IUPAC[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
SMILESCCOCc1nc2cc(CN)ccc2n1C(C)C
InChIInChI=1S/C14H21N3O/c1-4-18-9-14-16-12-7-11(8-15)5-6-13(12)17(14)10(2)3/h5-7,10H,4,8-9,15H2,1-3H3
InChIKeyGHUQDRPKEVQYRY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.61
Rot. Bonds5

About [2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine

[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine (PubChem CID 65038230) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
PubChem CID65038230
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
SMILESCCOCc1nc2cc(CN)ccc2n1C(C)C
InChIInChI=1S/C14H21N3O/c1-4-18-9-14-16-12-7-11(8-15)5-6-13(12)17(14)10(2)3/h5-7,10H,4,8-9,15H2,1-3H3
InChIKeyGHUQDRPKEVQYRY-UHFFFAOYSA-N
XLogP2.61
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 115950378
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500
[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037754
[2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037701
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475
(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037847
1-propan-2-yl-2-(propoxymethyl)benzimidazole-5-carbonitrile
CID 107941811
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol
CID 82333770
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037850
(1-propan-2-yl-2-pyrazin-2-ylbenzimidazol-5-yl)methanamine
CID 65037653
5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine
CID 141375297

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine (CID 65038230) is [2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine is CCOCc1nc2cc(CN)ccc2n1C(C)C.
What is the InChIKey of [2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The InChIKey is GHUQDRPKEVQYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-18-9-14-16-12-7-11(8-15)5-6-13(12)17(14)10(2)3/h5-7,10H,4,8-9,15H2,1-3H3.
What are the key properties of [2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 65038230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).