N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide

C22H27N5O2 — CID 46375427

IUPACN-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(c2nc3ccccc3n2CC)CC1
InChIInChI=1S/C22H27N5O2/c1-3-27-19-11-7-5-9-17(19)23-21(27)25-13-15-26(16-14-25)22(28)24-18-10-6-8-12-20(18)29-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,24,28)
InChIKeyZENNRXJOASHGOP-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.81
Rot. Bonds5

About N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide

N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide (PubChem CID 46375427) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
PubChem CID46375427
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(c2nc3ccccc3n2CC)CC1
InChIInChI=1S/C22H27N5O2/c1-3-27-19-11-7-5-9-17(19)23-21(27)25-13-15-26(16-14-25)22(28)24-18-10-6-8-12-20(18)29-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,24,28)
InChIKeyZENNRXJOASHGOP-UHFFFAOYSA-N
XLogP3.81
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 44754338
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 46375439
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 122334873
ethyl (3S)-3-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 92879177
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375452
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 3545151
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699
4-(1-ethylbenzimidazol-2-yl)-N-methylpiperazine-1-carbothioamide
CID 1462205

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide (CID 46375427) is N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCN(c2nc3ccccc3n2CC)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide?
The InChIKey is ZENNRXJOASHGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-27-19-11-7-5-9-17(19)23-21(27)25-13-15-26(16-14-25)22(28)24-18-10-6-8-12-20(18)29-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,24,28).
What are the key properties of N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide?
N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 46375427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).