[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine

C13H19N3O — CID 65037745

IUPAC[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
SMILESCCCn1c(COC)nc2cc(CN)ccc21
InChIInChI=1S/C13H19N3O/c1-3-6-16-12-5-4-10(8-14)7-11(12)15-13(16)9-17-2/h4-5,7H,3,6,8-9,14H2,1-2H3
InChIKeyWBDSZDVGFYPYJL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.05
Rot. Bonds5

About [2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine

[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine (PubChem CID 65037745) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
PubChem CID65037745
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
SMILESCCCn1c(COC)nc2cc(CN)ccc21
InChIInChI=1S/C13H19N3O/c1-3-6-16-12-5-4-10(8-14)7-11(12)15-13(16)9-17-2/h4-5,7H,3,6,8-9,14H2,1-2H3
InChIKeyWBDSZDVGFYPYJL-UHFFFAOYSA-N
XLogP2.05
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol
CID 79199391
(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
CID 82990601
(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
CID 65038224
[4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 94756849
[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150134
(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
CID 82333503
N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333668
[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 83149878
[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine
CID 112605673
[2-(4,5-dibromothiophen-2-yl)-1-propylbenzimidazol-5-yl]methanamine
CID 80537091
2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040254
2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine
CID 82146026

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine (CID 65037745) is [2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine is CCCn1c(COC)nc2cc(CN)ccc21.
What is the InChIKey of [2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine?
The InChIKey is WBDSZDVGFYPYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-6-16-12-5-4-10(8-14)7-11(12)15-13(16)9-17-2/h4-5,7H,3,6,8-9,14H2,1-2H3.
What are the key properties of [2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine?
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 65037745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).