N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide

C19H22N4O3 — CID 21428857

IUPACN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccco1
InChIInChI=1S/C19H22N4O3/c24-18(17-6-3-13-26-17)20-9-12-22-10-7-14(8-11-22)23-16-5-2-1-4-15(16)21-19(23)25/h1-6,13-14H,7-12H2,(H,20,24)(H,21,25)
InChIKeyVINUTNSITPWXDD-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.99
Rot. Bonds5

About N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide

N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 21428857) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide
PubChem CID21428857
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccco1
InChIInChI=1S/C19H22N4O3/c24-18(17-6-3-13-26-17)20-9-12-22-10-7-14(8-11-22)23-16-5-2-1-4-15(16)21-19(23)25/h1-6,13-14H,7-12H2,(H,20,24)(H,21,25)
InChIKeyVINUTNSITPWXDD-UHFFFAOYSA-N
XLogP1.99
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide (CID 21428857) is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide is O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccco1.
What is the InChIKey of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is VINUTNSITPWXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18(17-6-3-13-26-17)20-9-12-22-10-7-14(8-11-22)23-16-5-2-1-4-15(16)21-19(23)25/h1-6,13-14H,7-12H2,(H,20,24)(H,21,25).
What are the key properties of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide?
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 21428857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).