1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine

C19H25N3O2 — CID 119110603

IUPAC1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCC(NCc1nc2ccccc2n1C)c1ccco1
InChIInChI=1S/C19H25N3O2/c1-14(2)12-23-13-16(18-9-6-10-24-18)20-11-19-21-15-7-4-5-8-17(15)22(19)3/h4-10,14,16,20H,11-13H2,1-3H3
InChIKeyLRHNUELZUZXKCX-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.67
Rot. Bonds8

About 1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine

1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine (PubChem CID 119110603) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine
PubChem CID119110603
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCC(NCc1nc2ccccc2n1C)c1ccco1
InChIInChI=1S/C19H25N3O2/c1-14(2)12-23-13-16(18-9-6-10-24-18)20-11-19-21-15-7-4-5-8-17(15)22(19)3/h4-10,14,16,20H,11-13H2,1-3H3
InChIKeyLRHNUELZUZXKCX-UHFFFAOYSA-N
XLogP3.67
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 81392850
1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 119106924
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 111449974
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 119106925
1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine
CID 63000965
(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 78921225
N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640025
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 62998610
4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol
CID 111449850

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine (CID 119110603) is 1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine is CC(C)COCC(NCc1nc2ccccc2n1C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine?
The InChIKey is LRHNUELZUZXKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)12-23-13-16(18-9-6-10-24-18)20-11-19-21-15-7-4-5-8-17(15)22(19)3/h4-10,14,16,20H,11-13H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine?
1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine has a molecular weight of 327.43 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 119110603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).