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

C16H17N3O — CID 62448348

IUPACN-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)ncn2Cc1ccoc1CNC1CC1
InChIInChI=1S/C16H17N3O/c1-2-4-15-14(3-1)18-11-19(15)10-12-7-8-20-16(12)9-17-13-5-6-13/h1-4,7-8,11,13,17H,5-6,9-10H2
InChIKeyXEXGFPVCACVXKB-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.93
Rot. Bonds5

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

N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 62448348) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID62448348
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)ncn2Cc1ccoc1CNC1CC1
InChIInChI=1S/C16H17N3O/c1-2-4-15-14(3-1)18-11-19(15)10-12-7-8-20-16(12)9-17-13-5-6-13/h1-4,7-8,11,13,17H,5-6,9-10H2
InChIKeyXEXGFPVCACVXKB-UHFFFAOYSA-N
XLogP2.93
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62447227
N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62441010
N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62411236
N-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62441918
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 114540153
N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 103503329
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 62434248
N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine
CID 28660029
N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine
CID 43608514
N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 106887612
N-[[3-[(4,4-diethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63163443
N-[[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62413363

Frequently Asked Questions

What is the IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine (CID 62448348) is N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine is c1ccc2c(c1)ncn2Cc1ccoc1CNC1CC1.
What is the InChIKey of N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is XEXGFPVCACVXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-4-15-14(3-1)18-11-19(15)10-12-7-8-20-16(12)9-17-13-5-6-13/h1-4,7-8,11,13,17H,5-6,9-10H2.
What are the key properties of N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 267.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62448348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).