N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide

C23H23N5O2 — CID 131940469

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide
SMILESCCN(CCc1nc2ccccc2[nH]1)C(=O)c1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C23H23N5O2/c1-2-28(14-13-20-24-18-5-3-4-6-19(18)25-20)23(29)17-11-7-15(8-12-17)21-26-22(30-27-21)16-9-10-16/h3-8,11-12,16H,2,9-10,13-14H2,1H3,(H,24,25)
InChIKeyQNHCRAWJTLNCES-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.20
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide (PubChem CID 131940469) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide
PubChem CID131940469
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide
SMILESCCN(CCc1nc2ccccc2[nH]1)C(=O)c1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C23H23N5O2/c1-2-28(14-13-20-24-18-5-3-4-6-19(18)25-20)23(29)17-11-7-15(8-12-17)21-26-22(30-27-21)16-9-10-16/h3-8,11-12,16H,2,9-10,13-14H2,1H3,(H,24,25)
InChIKeyQNHCRAWJTLNCES-UHFFFAOYSA-N
XLogP4.20
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429627
(1R,2R,4R)-N-[2-(1H-benzimidazol-2-yl)ethyl]-N-ethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 56753286
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 86859930
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CID 122558967
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18137274
3-(1H-benzimidazol-2-ylmethyl)-1,1-diethylurea
CID 113223965
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153
5-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 42536763
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-ethylurea;formic acid
CID 154909286
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide
CID 42596394
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
CID 35955630
1H-benzimidazol-2-ylmethyl 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 86777419

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide (CID 131940469) is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide is CCN(CCc1nc2ccccc2[nH]1)C(=O)c1ccc(-c2noc(C3CC3)n2)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide?
The InChIKey is QNHCRAWJTLNCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-2-28(14-13-20-24-18-5-3-4-6-19(18)25-20)23(29)17-11-7-15(8-12-17)21-26-22(30-27-21)16-9-10-16/h3-8,11-12,16H,2,9-10,13-14H2,1H3,(H,24,25).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide has a molecular weight of 401.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide is sourced from PubChem (CID 131940469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).