N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide

C16H14FN3O — CID 18105208

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1F
InChIInChI=1S/C16H14FN3O/c1-10-6-7-11(8-12(10)17)16(21)18-9-15-19-13-4-2-3-5-14(13)20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyHVMPWBMIBNHWRU-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.94
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide (PubChem CID 18105208) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
PubChem CID18105208
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1F
InChIInChI=1S/C16H14FN3O/c1-10-6-7-11(8-12(10)17)16(21)18-9-15-19-13-4-2-3-5-14(13)20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyHVMPWBMIBNHWRU-UHFFFAOYSA-N
XLogP2.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46290614
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46328395
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide
CID 134018137
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18105110
3-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 70065972
3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 17473012
N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 51143916

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide (CID 18105208) is N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1F.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide?
The InChIKey is HVMPWBMIBNHWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-6-7-11(8-12(10)17)16(21)18-9-15-19-13-4-2-3-5-14(13)20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide has a molecular weight of 283.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 18105208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).