N-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide

C22H17FN4O2 — CID 174589874

IUPACN-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide
SMILESNCc1ccc(F)c(NC(=O)c2ccccc2C(=O)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C22H17FN4O2/c23-17-7-5-13(11-24)9-19(17)27-22(29)16-4-2-1-3-15(16)21(28)14-6-8-18-20(10-14)26-12-25-18/h1-10,12H,11,24H2,(H,25,26)(H,27,29)
InChIKeyZTNNIKXTNFZNRL-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.64
Rot. Bonds5

About N-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide

N-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide (PubChem CID 174589874) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide
PubChem CID174589874
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC NameN-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide
SMILESNCc1ccc(F)c(NC(=O)c2ccccc2C(=O)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C22H17FN4O2/c23-17-7-5-13(11-24)9-19(17)27-22(29)16-4-2-1-3-15(16)21(28)14-6-8-18-20(10-14)26-12-25-18/h1-10,12H,11,24H2,(H,25,26)(H,27,29)
InChIKeyZTNNIKXTNFZNRL-UHFFFAOYSA-N
XLogP3.64
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 43582883
N-(3H-benzimidazol-5-yl)-2-fluorobenzamide
CID 110724315
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 43600970
N-[[2-(aminomethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 62949714
N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108542173
[6-[2-[(5-bromo-2-fluorophenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]-methylcarbamic acid
CID 67045052
N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 43397751
1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione
CID 90354958
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide
CID 110785475
N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide
CID 79679920

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide?
The IUPAC name of N-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide (CID 174589874) is N-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide?
The canonical SMILES for N-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide is NCc1ccc(F)c(NC(=O)c2ccccc2C(=O)c2ccc3nc[nH]c3c2)c1.
What is the InChIKey of N-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide?
The InChIKey is ZTNNIKXTNFZNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-17-7-5-13(11-24)9-19(17)27-22(29)16-4-2-1-3-15(16)21(28)14-6-8-18-20(10-14)26-12-25-18/h1-10,12H,11,24H2,(H,25,26)(H,27,29).
What are the key properties of N-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide?
N-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide has a molecular weight of 388.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide is sourced from PubChem (CID 174589874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).