N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine

C17H19N3O — CID 62447227

IUPACN-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1oc(Cn2cnc3ccccc32)cc1CNC1CC1
InChIInChI=1S/C17H19N3O/c1-12-13(9-18-14-6-7-14)8-15(21-12)10-20-11-19-16-4-2-3-5-17(16)20/h2-5,8,11,14,18H,6-7,9-10H2,1H3
InChIKeyHCZQBJQPRILNGQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.24
Rot. Bonds5

About N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine

N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine (PubChem CID 62447227) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
PubChem CID62447227
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1oc(Cn2cnc3ccccc32)cc1CNC1CC1
InChIInChI=1S/C17H19N3O/c1-12-13(9-18-14-6-7-14)8-15(21-12)10-20-11-19-16-4-2-3-5-17(16)20/h2-5,8,11,14,18H,6-7,9-10H2,1H3
InChIKeyHCZQBJQPRILNGQ-UHFFFAOYSA-N
XLogP3.24
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 62448348
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62446739
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62413294
N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444645
N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine
CID 62447423
N-[[5-methyl-4-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55073034
N-[[2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62437586
1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728741
N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine
CID 28660029
N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62485651
N-[[5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62427817
1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 830343

Frequently Asked Questions

What is the IUPAC name of N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine (CID 62447227) is N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine is Cc1oc(Cn2cnc3ccccc32)cc1CNC1CC1.
What is the InChIKey of N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine?
The InChIKey is HCZQBJQPRILNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-13(9-18-14-6-7-14)8-15(21-12)10-20-11-19-16-4-2-3-5-17(16)20/h2-5,8,11,14,18H,6-7,9-10H2,1H3.
What are the key properties of N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine?
N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine has a molecular weight of 281.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62447227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).