N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide

C20H19N3O2 — CID 4876620

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide
SMILESCC(C)C(NC(=O)c1cc2ccccc2o1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H19N3O2/c1-12(2)18(19-21-14-8-4-5-9-15(14)22-19)23-20(24)17-11-13-7-3-6-10-16(13)25-17/h3-12,18H,1-2H3,(H,21,22)(H,23,24)
InChIKeyKEOUZLIQFOLQIG-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.44
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide (PubChem CID 4876620) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide
PubChem CID4876620
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide
SMILESCC(C)C(NC(=O)c1cc2ccccc2o1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H19N3O2/c1-12(2)18(19-21-14-8-4-5-9-15(14)22-19)23-20(24)17-11-13-7-3-6-10-16(13)25-17/h3-12,18H,1-2H3,(H,21,22)(H,23,24)
InChIKeyKEOUZLIQFOLQIG-UHFFFAOYSA-N
XLogP4.44
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550032
5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
CID 120643289
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 4974256
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 39964775
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 75903083
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474627
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 120503082
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-[(carbamoylamino)methyl]benzamide
CID 78781645
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 99870944

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide (CID 4876620) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide is CC(C)C(NC(=O)c1cc2ccccc2o1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide?
The InChIKey is KEOUZLIQFOLQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12(2)18(19-21-14-8-4-5-9-15(14)22-19)23-20(24)17-11-13-7-3-6-10-16(13)25-17/h3-12,18H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4876620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).