1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine

C17H21N3O — CID 62449258

IUPAC1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1cc(Cn2cnc3cc(C)c(C)cc32)c(C)o1
InChIInChI=1S/C17H21N3O/c1-11-5-16-17(6-12(11)2)20(10-19-16)9-14-7-15(8-18-4)21-13(14)3/h5-7,10,18H,8-9H2,1-4H3
InChIKeyZLSVMBRFXBNSSG-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.32
Rot. Bonds4

About 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine

1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine (PubChem CID 62449258) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
PubChem CID62449258
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1cc(Cn2cnc3cc(C)c(C)cc32)c(C)o1
InChIInChI=1S/C17H21N3O/c1-11-5-16-17(6-12(11)2)20(10-19-16)9-14-7-15(8-18-4)21-13(14)3/h5-7,10,18H,8-9H2,1-4H3
InChIKeyZLSVMBRFXBNSSG-UHFFFAOYSA-N
XLogP3.32
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728920
1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole
CID 962381
5,6-dimethyl-1-[(5-nitrofuran-2-yl)methyl]benzimidazole
CID 115582512
N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62447391
1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole
CID 115569491
N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
CID 62419048
N-methyl-1-[5-methyl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62425837
N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62447912
N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62447227
1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728741
4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62464370
N-methyl-1-[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62775548

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine (CID 62449258) is 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine is CNCc1cc(Cn2cnc3cc(C)c(C)cc32)c(C)o1.
What is the InChIKey of 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The InChIKey is ZLSVMBRFXBNSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-5-16-17(6-12(11)2)20(10-19-16)9-14-7-15(8-18-4)21-13(14)3/h5-7,10,18H,8-9H2,1-4H3.
What are the key properties of 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine has a molecular weight of 283.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62449258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).