N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine

C17H21N3O — CID 50952494

IUPACN-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine
SMILESCc1ccc2[nH]c(CN(C)C(C)c3ccco3)nc2c1C
InChIInChI=1S/C17H21N3O/c1-11-7-8-14-17(12(11)2)19-16(18-14)10-20(4)13(3)15-6-5-9-21-15/h5-9,13H,10H2,1-4H3,(H,18,19)
InChIKeyVMYGSJDNNLWONK-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.97
Rot. Bonds4

About N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine

N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine (PubChem CID 50952494) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine
PubChem CID50952494
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine
SMILESCc1ccc2[nH]c(CN(C)C(C)c3ccco3)nc2c1C
InChIInChI=1S/C17H21N3O/c1-11-7-8-14-17(12(11)2)19-16(18-14)10-20(4)13(3)15-6-5-9-21-15/h5-9,13H,10H2,1-4H3,(H,18,19)
InChIKeyVMYGSJDNNLWONK-UHFFFAOYSA-N
XLogP3.97
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
CID 50968379
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
CID 131918098
1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 73440653
(1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine
CID 95857323
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74230497
(2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 95224011
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide
CID 131934944
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95200553
(2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine
CID 95205742
2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole
CID 150245168
3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 65067582

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine?
The IUPAC name of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine (CID 50952494) is N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine is Cc1ccc2[nH]c(CN(C)C(C)c3ccco3)nc2c1C.
What is the InChIKey of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine?
The InChIKey is VMYGSJDNNLWONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-7-8-14-17(12(11)2)19-16(18-14)10-20(4)13(3)15-6-5-9-21-15/h5-9,13H,10H2,1-4H3,(H,18,19).
What are the key properties of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine?
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine has a molecular weight of 283.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine is sourced from PubChem (CID 50952494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).