2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide

C18H16FN7O — CID 90652899

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
SMILESCc1nc2ccc(CNC(=O)Cn3nnc(-c4ccc(F)cc4)n3)cc2[nH]1
InChIInChI=1S/C18H16FN7O/c1-11-21-15-7-2-12(8-16(15)22-11)9-20-17(27)10-26-24-18(23-25-26)13-3-5-14(19)6-4-13/h2-8H,9-10H2,1H3,(H,20,27)(H,21,22)
InChIKeyYKTFZIAVNOBWPW-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.98
Rot. Bonds5

About 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide (PubChem CID 90652899) has the molecular formula C18H16FN7O and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
PubChem CID90652899
Molecular FormulaC18H16FN7O
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
SMILESCc1nc2ccc(CNC(=O)Cn3nnc(-c4ccc(F)cc4)n3)cc2[nH]1
InChIInChI=1S/C18H16FN7O/c1-11-21-15-7-2-12(8-16(15)22-11)9-20-17(27)10-26-24-18(23-25-26)13-3-5-14(19)6-4-13/h2-8H,9-10H2,1H3,(H,20,27)(H,21,22)
InChIKeyYKTFZIAVNOBWPW-UHFFFAOYSA-N
XLogP1.98
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914
N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide
CID 23800655
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 75414451
N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide
CID 23829449
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 2990806
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide
CID 856760

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide (CID 90652899) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide is Cc1nc2ccc(CNC(=O)Cn3nnc(-c4ccc(F)cc4)n3)cc2[nH]1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
The InChIKey is YKTFZIAVNOBWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7O/c1-11-21-15-7-2-12(8-16(15)22-11)9-20-17(27)10-26-24-18(23-25-26)13-3-5-14(19)6-4-13/h2-8H,9-10H2,1H3,(H,20,27)(H,21,22).
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide has a molecular weight of 365.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide is sourced from PubChem (CID 90652899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).