N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine

C18H29N3O — CID 134084130

IUPACN-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1nc2cc(OC)ccc2n1CCCC
InChIInChI=1S/C18H29N3O/c1-5-7-11-20(3)14-18-19-16-13-15(22-4)9-10-17(16)21(18)12-8-6-2/h9-10,13H,5-8,11-12,14H2,1-4H3
InChIKeyBMAZLNJLXDCIKD-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.08
Rot. Bonds9

About N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine

N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine (PubChem CID 134084130) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
PubChem CID134084130
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1nc2cc(OC)ccc2n1CCCC
InChIInChI=1S/C18H29N3O/c1-5-7-11-20(3)14-18-19-16-13-15(22-4)9-10-17(16)21(18)12-8-6-2/h9-10,13H,5-8,11-12,14H2,1-4H3
InChIKeyBMAZLNJLXDCIKD-UHFFFAOYSA-N
XLogP4.08
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol
CID 82311690
2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol
CID 82310791
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol
CID 82311836
N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 82310769
1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine
CID 15955948
3-[2-(diethylaminomethyl)-5-methoxybenzimidazol-1-yl]propanenitrile
CID 82311542
2-cyclopropyl-1-hexyl-5-methoxybenzimidazole
CID 134083858
2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid
CID 82310896
2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile
CID 82311201
(1-butyl-5-propan-2-yloxybenzimidazol-2-yl)methanethiol
CID 82335414
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855

Frequently Asked Questions

What is the IUPAC name of N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine (CID 134084130) is N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1nc2cc(OC)ccc2n1CCCC.
What is the InChIKey of N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine?
The InChIKey is BMAZLNJLXDCIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-5-7-11-20(3)14-18-19-16-13-15(22-4)9-10-17(16)21(18)12-8-6-2/h9-10,13H,5-8,11-12,14H2,1-4H3.
What are the key properties of N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine?
N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine has a molecular weight of 303.45 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 134084130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).