N-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide

C27H24N4O2 — CID 71660206

IUPACN-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1cc2[nH]c(-c3ccco3)nc2cc1N1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C27H24N4O2/c32-27(20-11-6-9-18-8-2-3-10-19(18)20)30-23-16-21-22(17-24(23)31-13-4-1-5-14-31)29-26(28-21)25-12-7-15-33-25/h2-3,6-12,15-17H,1,4-5,13-14H2,(H,28,29)(H,30,32)
InChIKeyCOXVWXDOTRVGAY-UHFFFAOYSA-N
MW436.52 g/mol
LogP6.22
Rot. Bonds4

About N-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide

N-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide (PubChem CID 71660206) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide
PubChem CID71660206
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC NameN-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1cc2[nH]c(-c3ccco3)nc2cc1N1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C27H24N4O2/c32-27(20-11-6-9-18-8-2-3-10-19(18)20)30-23-16-21-22(17-24(23)31-13-4-1-5-14-31)29-26(28-21)25-12-7-15-33-25/h2-3,6-12,15-17H,1,4-5,13-14H2,(H,28,29)(H,30,32)
InChIKeyCOXVWXDOTRVGAY-UHFFFAOYSA-N
XLogP6.22
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide (CID 71660206) is N-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide is O=C(Nc1cc2[nH]c(-c3ccco3)nc2cc1N1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide?
The InChIKey is COXVWXDOTRVGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c32-27(20-11-6-9-18-8-2-3-10-19(18)20)30-23-16-21-22(17-24(23)31-13-4-1-5-14-31)29-26(28-21)25-12-7-15-33-25/h2-3,6-12,15-17H,1,4-5,13-14H2,(H,28,29)(H,30,32).
What are the key properties of N-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide?
N-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 6.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-6-piperidin-1-yl-3H-benzimidazol-5-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 71660206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).