N-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine

C24H26N4O — CID 67512980

IUPACN-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NC(c2cccc(-c3ccco3)c2)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H26N4O/c1-28-13-11-19(12-14-28)25-23(24-26-20-8-2-3-9-21(20)27-24)18-7-4-6-17(16-18)22-10-5-15-29-22/h2-10,15-16,19,23,25H,11-14H2,1H3,(H,26,27)
InChIKeyHEFFUIBOEAFCNK-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.60
Rot. Bonds5

About N-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine

N-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine (PubChem CID 67512980) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine
PubChem CID67512980
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NC(c2cccc(-c3ccco3)c2)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H26N4O/c1-28-13-11-19(12-14-28)25-23(24-26-20-8-2-3-9-21(20)27-24)18-7-4-6-17(16-18)22-10-5-15-29-22/h2-10,15-16,19,23,25H,11-14H2,1H3,(H,26,27)
InChIKeyHEFFUIBOEAFCNK-UHFFFAOYSA-N
XLogP4.60
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine (CID 67512980) is N-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine is CN1CCC(NC(c2cccc(-c3ccco3)c2)c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is HEFFUIBOEAFCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-28-13-11-19(12-14-28)25-23(24-26-20-8-2-3-9-21(20)27-24)18-7-4-6-17(16-18)22-10-5-15-29-22/h2-10,15-16,19,23,25H,11-14H2,1H3,(H,26,27).
What are the key properties of N-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine?
N-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 386.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-benzimidazol-2-yl-[3-(furan-2-yl)phenyl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 67512980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).