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

C20H23FN4O — CID 119859268

IUPAC2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1
InChIInChI=1S/C20H23FN4O/c1-3-10-20(2,22)19(26)23-14-8-9-16-17(12-14)25-18(24-16)11-13-6-4-5-7-15(13)21/h4-9,12H,3,10-11,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeySZELJQAMBQRBBF-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.75
Rot. Bonds6

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

2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide (PubChem CID 119859268) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide
PubChem CID119859268
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1
InChIInChI=1S/C20H23FN4O/c1-3-10-20(2,22)19(26)23-14-8-9-16-17(12-14)25-18(24-16)11-13-6-4-5-7-15(13)21/h4-9,12H,3,10-11,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeySZELJQAMBQRBBF-UHFFFAOYSA-N
XLogP3.75
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide (CID 119859268) is 2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1.
What is the InChIKey of 2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide?
The InChIKey is SZELJQAMBQRBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-3-10-20(2,22)19(26)23-14-8-9-16-17(12-14)25-18(24-16)11-13-6-4-5-7-15(13)21/h4-9,12H,3,10-11,22H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide?
2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide has a molecular weight of 354.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide is sourced from PubChem (CID 119859268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).