N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide

C20H29N5O3 — CID 38719285

IUPACN,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)CCn2c(=O)n(C)c3ccccc32)CC1
InChIInChI=1S/C20H29N5O3/c1-4-22(5-2)20(28)24-14-12-23(13-15-24)18(26)10-11-25-17-9-7-6-8-16(17)21(3)19(25)27/h6-9H,4-5,10-15H2,1-3H3
InChIKeySZCCMTBLAXTDRS-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.34
Rot. Bonds5

About N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide

N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide (PubChem CID 38719285) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide
PubChem CID38719285
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC NameN,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)CCn2c(=O)n(C)c3ccccc32)CC1
InChIInChI=1S/C20H29N5O3/c1-4-22(5-2)20(28)24-14-12-23(13-15-24)18(26)10-11-25-17-9-7-6-8-16(17)21(3)19(25)27/h6-9H,4-5,10-15H2,1-3H3
InChIKeySZCCMTBLAXTDRS-UHFFFAOYSA-N
XLogP1.34
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18134876
N,N-diethyl-4-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperazine-1-carboxamide
CID 46443562
1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 56819857
1-ethyl-3-[3-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one
CID 56533669
1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
CID 119560953
4-[2-(1,3-dioxoisoindol-2-yl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 108568408
4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119251628
N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18169326
1-methyl-3-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]benzimidazol-2-one;hydrochloride
CID 120995124
N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
CID 120828699
1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 16590199
1-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 167899736

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide (CID 38719285) is N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)CCn2c(=O)n(C)c3ccccc32)CC1.
What is the InChIKey of N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide?
The InChIKey is SZCCMTBLAXTDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-4-22(5-2)20(28)24-14-12-23(13-15-24)18(26)10-11-25-17-9-7-6-8-16(17)21(3)19(25)27/h6-9H,4-5,10-15H2,1-3H3.
What are the key properties of N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide?
N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 38719285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).