4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide

C25H20N4O2 — CID 112812157

IUPAC4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(-n2cnc3ccccc32)cc1)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C25H20N4O2/c30-25(28(17-22-6-4-14-31-22)16-19-5-3-13-26-15-19)20-9-11-21(12-10-20)29-18-27-23-7-1-2-8-24(23)29/h1-15,18H,16-17H2
InChIKeyWWXKZQSSTFQLTB-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.86
Rot. Bonds6

About 4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide

4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 112812157) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID112812157
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(-n2cnc3ccccc32)cc1)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C25H20N4O2/c30-25(28(17-22-6-4-14-31-22)16-19-5-3-13-26-15-19)20-9-11-21(12-10-20)29-18-27-23-7-1-2-8-24(23)29/h1-15,18H,16-17H2
InChIKeyWWXKZQSSTFQLTB-UHFFFAOYSA-N
XLogP4.86
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 78843578
5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 52558245
4-(1,3-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 78843585
N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 112812140
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99181571
N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 60542645
4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 25329425
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 99186712
N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 78843575
N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide
CID 18140016
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
CID 37429743

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide (CID 112812157) is 4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide is O=C(c1ccc(-n2cnc3ccccc32)cc1)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is WWXKZQSSTFQLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-25(28(17-22-6-4-14-31-22)16-19-5-3-13-26-15-19)20-9-11-21(12-10-20)29-18-27-23-7-1-2-8-24(23)29/h1-15,18H,16-17H2.
What are the key properties of 4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide?
4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 408.46 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 112812157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).