N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide

C22H20N4O3 — CID 46994776

IUPACN-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(C(=O)NC(C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H20N4O3/c1-13(20-25-18-5-3-4-6-19(18)26-20)23-21(27)15-7-9-16(10-8-15)24-22(28)17-11-12-29-14(17)2/h3-13H,1-2H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeySQAQXXPYBSJHMH-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.21
Rot. Bonds5

About N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide

N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 46994776) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
PubChem CID46994776
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(C(=O)NC(C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H20N4O3/c1-13(20-25-18-5-3-4-6-19(18)26-20)23-21(27)15-7-9-16(10-8-15)24-22(28)17-11-12-29-14(17)2/h3-13H,1-2H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeySQAQXXPYBSJHMH-UHFFFAOYSA-N
XLogP4.21
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106688409
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CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide
CID 47120283
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide
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N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 74232246
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide
CID 134032924
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 78806694
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 18124167
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide (CID 46994776) is N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc(C(=O)NC(C)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is SQAQXXPYBSJHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-13(20-25-18-5-3-4-6-19(18)26-20)23-21(27)15-7-9-16(10-8-15)24-22(28)17-11-12-29-14(17)2/h3-13H,1-2H3,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide?
N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 46994776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).