3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide

C19H21FN4O — CID 120503219

IUPAC3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1
InChIInChI=1S/C19H21FN4O/c1-11(12(2)21)19(25)22-14-7-8-16-17(10-14)24-18(23-16)9-13-5-3-4-6-15(13)20/h3-8,10-12H,9,21H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyBPGWCCHBXLDWQL-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.21
Rot. Bonds5

About 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide

3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide (PubChem CID 120503219) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide
PubChem CID120503219
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1
InChIInChI=1S/C19H21FN4O/c1-11(12(2)21)19(25)22-14-7-8-16-17(10-14)24-18(23-16)9-13-5-3-4-6-15(13)20/h3-8,10-12H,9,21H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyBPGWCCHBXLDWQL-UHFFFAOYSA-N
XLogP3.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798737
2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide
CID 119859268
3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride
CID 120503091
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 52661392
3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide
CID 119859244
(E)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 60587451
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 60587521
3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
CID 55815444
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 52661403
6-chloro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60648959
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
CID 52661400
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-methoxy-3-nitrobenzamide
CID 52688566

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide (CID 120503219) is 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide is CC(N)C(C)C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1.
What is the InChIKey of 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide?
The InChIKey is BPGWCCHBXLDWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-11(12(2)21)19(25)22-14-7-8-16-17(10-14)24-18(23-16)9-13-5-3-4-6-15(13)20/h3-8,10-12H,9,21H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide?
3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide has a molecular weight of 340.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide is sourced from PubChem (CID 120503219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).