N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide

C20H28N4O2 — CID 71684963

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide
SMILESCCn1c(CNC(=O)C2CCCCN2C(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C20H28N4O2/c1-4-23-16-10-6-5-9-15(16)22-18(23)13-21-19(25)17-11-7-8-12-24(17)20(26)14(2)3/h5-6,9-10,14,17H,4,7-8,11-13H2,1-3H3,(H,21,25)
InChIKeyDSIURYDKYKZMBO-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.71
Rot. Bonds5

About N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide (PubChem CID 71684963) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide
PubChem CID71684963
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide
SMILESCCn1c(CNC(=O)C2CCCCN2C(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C20H28N4O2/c1-4-23-16-10-6-5-9-15(16)22-18(23)13-21-19(25)17-11-7-8-12-24(17)20(26)14(2)3/h5-6,9-10,14,17H,4,7-8,11-13H2,1-3H3,(H,21,25)
InChIKeyDSIURYDKYKZMBO-UHFFFAOYSA-N
XLogP2.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51305225
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
(2S)-2-(3,4-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 96997357
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
CID 24549090
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029165
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55498979
N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969907
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide (CID 71684963) is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide is CCn1c(CNC(=O)C2CCCCN2C(=O)C(C)C)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide?
The InChIKey is DSIURYDKYKZMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-23-16-10-6-5-9-15(16)22-18(23)13-21-19(25)17-11-7-8-12-24(17)20(26)14(2)3/h5-6,9-10,14,17H,4,7-8,11-13H2,1-3H3,(H,21,25).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide is sourced from PubChem (CID 71684963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).