1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol

C20H26N4O2 — CID 3130803

IUPAC1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol
SMILES[H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(O)c1ccco1
InChIInChI=1S/C20H26N4O2/c21-20-23(13-12-22-10-4-1-5-11-22)16-7-2-3-8-17(16)24(20)15-18(25)19-9-6-14-26-19/h2-3,6-9,14,18,21,25H,1,4-5,10-13,15H2/b21-20+
InChIKeyWLLGNVXNXLBIKF-QZQOTICOSA-N
MW354.45 g/mol
LogP2.73
Rot. Bonds6

About 1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol

1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol (PubChem CID 3130803) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol
PubChem CID3130803
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol
SMILES[H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(O)c1ccco1
InChIInChI=1S/C20H26N4O2/c21-20-23(13-12-22-10-4-1-5-11-22)16-7-2-3-8-17(16)24(20)15-18(25)19-9-6-14-26-19/h2-3,6-9,14,18,21,25H,1,4-5,10-13,15H2/b21-20+
InChIKeyWLLGNVXNXLBIKF-QZQOTICOSA-N
XLogP2.73
TPSA70.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol (CID 3130803) is 1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol is [H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol?
The InChIKey is WLLGNVXNXLBIKF-QZQOTICOSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-20-23(13-12-22-10-4-1-5-11-22)16-7-2-3-8-17(16)24(20)15-18(25)19-9-6-14-26-19/h2-3,6-9,14,18,21,25H,1,4-5,10-13,15H2/b21-20+.
What are the key properties of 1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol?
1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol has a molecular weight of 354.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 3130803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).