(1-butyl-5-methoxybenzimidazol-2-yl)methanamine

C13H19N3O — CID 82334322

IUPAC(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
SMILESCCCCn1c(CN)nc2cc(OC)ccc21
InChIInChI=1S/C13H19N3O/c1-3-4-7-16-12-6-5-10(17-2)8-11(12)15-13(16)9-14/h5-6,8H,3-4,7,9,14H2,1-2H3
InChIKeyCSRSCZDNUDBSGF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.30
Rot. Bonds5

About (1-butyl-5-methoxybenzimidazol-2-yl)methanamine

(1-butyl-5-methoxybenzimidazol-2-yl)methanamine (PubChem CID 82334322) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (1-butyl-5-methoxybenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
PubChem CID82334322
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
SMILESCCCCn1c(CN)nc2cc(OC)ccc21
InChIInChI=1S/C13H19N3O/c1-3-4-7-16-12-6-5-10(17-2)8-11(12)15-13(16)9-14/h5-6,8H,3-4,7,9,14H2,1-2H3
InChIKeyCSRSCZDNUDBSGF-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084130
[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine
CID 82334328
(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
CID 82333503
3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline
CID 82334366
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679
(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
CID 82334703
2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334711
(1-butyl-5-propan-2-yloxybenzimidazol-2-yl)methanethiol
CID 82335414
2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol
CID 82310791
2-cyclopropyl-1-hexyl-5-methoxybenzimidazole
CID 134083858
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661

Frequently Asked Questions

What is the IUPAC name of (1-butyl-5-methoxybenzimidazol-2-yl)methanamine?
The IUPAC name of (1-butyl-5-methoxybenzimidazol-2-yl)methanamine (CID 82334322) is (1-butyl-5-methoxybenzimidazol-2-yl)methanamine.
What is the SMILES notation for (1-butyl-5-methoxybenzimidazol-2-yl)methanamine?
The canonical SMILES for (1-butyl-5-methoxybenzimidazol-2-yl)methanamine is CCCCn1c(CN)nc2cc(OC)ccc21.
What is the InChIKey of (1-butyl-5-methoxybenzimidazol-2-yl)methanamine?
The InChIKey is CSRSCZDNUDBSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-4-7-16-12-6-5-10(17-2)8-11(12)15-13(16)9-14/h5-6,8H,3-4,7,9,14H2,1-2H3.
What are the key properties of (1-butyl-5-methoxybenzimidazol-2-yl)methanamine?
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-5-methoxybenzimidazol-2-yl)methanamine is sourced from PubChem (CID 82334322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).