N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide

C19H18N4O — CID 51158118

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide
SMILESCC(C)C(NC(=O)c1ccc(C#N)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H18N4O/c1-12(2)17(18-21-15-5-3-4-6-16(15)22-18)23-19(24)14-9-7-13(11-20)8-10-14/h3-10,12,17H,1-2H3,(H,21,22)(H,23,24)
InChIKeyRTGTYRQUXRZFTO-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.56
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide (PubChem CID 51158118) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide
PubChem CID51158118
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide
SMILESCC(C)C(NC(=O)c1ccc(C#N)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H18N4O/c1-12(2)17(18-21-15-5-3-4-6-16(15)22-18)23-19(24)14-9-7-13(11-20)8-10-14/h3-10,12,17H,1-2H3,(H,21,22)(H,23,24)
InChIKeyRTGTYRQUXRZFTO-UHFFFAOYSA-N
XLogP3.56
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474627
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16596277
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(tetrazol-1-yl)benzamide
CID 94058833
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-[(carbamoylamino)methyl]benzamide
CID 78781645
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
CID 22695827
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-6-carboxamide
CID 124847703
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-5-carboxamide
CID 86206903
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976349

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide (CID 51158118) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide is CC(C)C(NC(=O)c1ccc(C#N)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide?
The InChIKey is RTGTYRQUXRZFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12(2)17(18-21-15-5-3-4-6-16(15)22-18)23-19(24)14-9-7-13(11-20)8-10-14/h3-10,12,17H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide has a molecular weight of 318.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide is sourced from PubChem (CID 51158118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).