N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide

C17H18N4O — CID 17429705

IUPACN-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H18N4O/c1-21(2)11-12-7-9-13(10-8-12)16(22)20-17-18-14-5-3-4-6-15(14)19-17/h3-10H,11H2,1-2H3,(H2,18,19,20,22)
InChIKeyORMCEDSBGOLEJL-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.88
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide

N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide (PubChem CID 17429705) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide
PubChem CID17429705
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H18N4O/c1-21(2)11-12-7-9-13(10-8-12)16(22)20-17-18-14-5-3-4-6-15(14)19-17/h3-10H,11H2,1-2H3,(H2,18,19,20,22)
InChIKeyORMCEDSBGOLEJL-UHFFFAOYSA-N
XLogP2.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide (CID 17429705) is N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide is CN(C)Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide?
The InChIKey is ORMCEDSBGOLEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-21(2)11-12-7-9-13(10-8-12)16(22)20-17-18-14-5-3-4-6-15(14)19-17/h3-10H,11H2,1-2H3,(H2,18,19,20,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide?
N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide has a molecular weight of 294.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide is sourced from PubChem (CID 17429705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).