1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine

C20H19N3O — CID 4673854

IUPAC1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine
SMILESCc1ccc(CNc2nc3ccccc3n2Cc2ccccc2)o1
InChIInChI=1S/C20H19N3O/c1-15-11-12-17(24-15)13-21-20-22-18-9-5-6-10-19(18)23(20)14-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyLIDCXNPSXTWMGQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.60
Rot. Bonds5

About 1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine

1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine (PubChem CID 4673854) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine
PubChem CID4673854
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine
SMILESCc1ccc(CNc2nc3ccccc3n2Cc2ccccc2)o1
InChIInChI=1S/C20H19N3O/c1-15-11-12-17(24-15)13-21-20-22-18-9-5-6-10-19(18)23(20)14-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyLIDCXNPSXTWMGQ-UHFFFAOYSA-N
XLogP4.60
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine
CID 155511290
1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
CID 2859099
1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride
CID 2870437
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine
CID 23266662
3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one
CID 15012861
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161888
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 46357271
(2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol
CID 94140396

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine (CID 4673854) is 1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine is Cc1ccc(CNc2nc3ccccc3n2Cc2ccccc2)o1.
What is the InChIKey of 1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is LIDCXNPSXTWMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-11-12-17(24-15)13-21-20-22-18-9-5-6-10-19(18)23(20)14-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,21,22).
What are the key properties of 1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine?
1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 317.39 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 4673854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).