3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide

C23H21N5O3 — CID 43890167

IUPAC3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NC(c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1
InChIInChI=1S/C23H21N5O3/c1-27(2)17-10-6-9-16(13-17)23(29)26-21(15-7-4-3-5-8-15)22-24-19-12-11-18(28(30)31)14-20(19)25-22/h3-14,21H,1-2H3,(H,24,25)(H,26,29)
InChIKeyRSCGLBHCNULQSY-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.06
Rot. Bonds6

About 3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide

3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide (PubChem CID 43890167) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
PubChem CID43890167
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NC(c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1
InChIInChI=1S/C23H21N5O3/c1-27(2)17-10-6-9-16(13-17)23(29)26-21(15-7-4-3-5-8-15)22-24-19-12-11-18(28(30)31)14-20(19)25-22/h3-14,21H,1-2H3,(H,24,25)(H,26,29)
InChIKeyRSCGLBHCNULQSY-UHFFFAOYSA-N
XLogP4.06
TPSA104.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890144
3-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890147
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43889998
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810
2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide
CID 43890127
N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]-2-phenylbutanamide
CID 43890089
N-[(4-methylphenyl)-phenylmethyl]-3-nitrobenzamide
CID 43886300
2-nitro-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]benzamide
CID 43890079
N-[1-(1H-benzimidazol-2-yl)butyl]-3-nitrobenzamide
CID 4300836
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-nitrobenzamide
CID 2109149
2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890007
N-benzhydryl-4-nitrobenzamide
CID 676068

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide (CID 43890167) is 3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide is CN(C)c1cccc(C(=O)NC(c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide?
The InChIKey is RSCGLBHCNULQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-27(2)17-10-6-9-16(13-17)23(29)26-21(15-7-4-3-5-8-15)22-24-19-12-11-18(28(30)31)14-20(19)25-22/h3-14,21H,1-2H3,(H,24,25)(H,26,29).
What are the key properties of 3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide?
3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide has a molecular weight of 415.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 43890167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).