N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide

C20H22N4O2 — CID 55566777

IUPACN-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCCCc1nc2ccccc2[nH]1)C(=O)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-24(20(26)15-8-3-2-4-9-15)14-19(25)21-13-7-12-18-22-16-10-5-6-11-17(16)23-18/h2-6,8-11H,7,12-14H2,1H3,(H,21,25)(H,22,23)
InChIKeyNEKLVIDKYHWLLL-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.38
Rot. Bonds7

About N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide

N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 55566777) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide
PubChem CID55566777
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCCCc1nc2ccccc2[nH]1)C(=O)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-24(20(26)15-8-3-2-4-9-15)14-19(25)21-13-7-12-18-22-16-10-5-6-11-17(16)23-18/h2-6,8-11H,7,12-14H2,1H3,(H,21,25)(H,22,23)
InChIKeyNEKLVIDKYHWLLL-UHFFFAOYSA-N
XLogP2.38
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
CID 134032843
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 18783633
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(3,4-dichlorophenyl)methyl]-1-methylurea
CID 30306692
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
CID 29303561
1-[3-(1H-benzimidazol-2-yl)propyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111134105
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide (CID 55566777) is N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)NCCCc1nc2ccccc2[nH]1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is NEKLVIDKYHWLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24(20(26)15-8-3-2-4-9-15)14-19(25)21-13-7-12-18-22-16-10-5-6-11-17(16)23-18/h2-6,8-11H,7,12-14H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 55566777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).