N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide

C21H21N3O2 — CID 60550032

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC(c3nc4ccccc4[nH]3)C(C)C)cc2c1
InChIInChI=1S/C21H21N3O2/c1-12(2)19(20-22-15-6-4-5-7-16(15)23-20)24-21(25)18-11-14-10-13(3)8-9-17(14)26-18/h4-12,19H,1-3H3,(H,22,23)(H,24,25)
InChIKeyRDUAMMPUCZRREO-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.74
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 60550032) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide
PubChem CID60550032
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC(c3nc4ccccc4[nH]3)C(C)C)cc2c1
InChIInChI=1S/C21H21N3O2/c1-12(2)19(20-22-15-6-4-5-7-16(15)23-20)24-21(25)18-11-14-10-13(3)8-9-17(14)26-18/h4-12,19H,1-3H3,(H,22,23)(H,24,25)
InChIKeyRDUAMMPUCZRREO-UHFFFAOYSA-N
XLogP4.74
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 4876620
5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
CID 120643289
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550590
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 120503082
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-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976349
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474627

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide (CID 60550032) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NC(c3nc4ccccc4[nH]3)C(C)C)cc2c1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is RDUAMMPUCZRREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-12(2)19(20-22-15-6-4-5-7-16(15)23-20)24-21(25)18-11-14-10-13(3)8-9-17(14)26-18/h4-12,19H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.74, 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]-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60550032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).