N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide

C15H16FN5O — CID 77080225

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1CCC(=O)NCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H16FN5O/c1-10-17-5-7-21(10)6-4-15(22)18-9-14-19-12-3-2-11(16)8-13(12)20-14/h2-3,5,7-8H,4,6,9H2,1H3,(H,18,22)(H,19,20)
InChIKeyYGLRPINCLCQJPC-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.91
Rot. Bonds5

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide (PubChem CID 77080225) has the molecular formula C15H16FN5O and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
PubChem CID77080225
Molecular FormulaC15H16FN5O
Molecular Weight301.33 g/mol
Exact Mass301.13
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1CCC(=O)NCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H16FN5O/c1-10-17-5-7-21(10)6-4-15(22)18-9-14-19-12-3-2-11(16)8-13(12)20-14/h2-3,5,7-8H,4,6,9H2,1H3,(H,18,22)(H,19,20)
InChIKeyYGLRPINCLCQJPC-UHFFFAOYSA-N
XLogP1.91
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 131898907
2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 119885380
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide
CID 90648663
4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
CID 91832737
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 86283839
1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone
CID 72885576
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide
CID 77083004
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide (CID 77080225) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide is Cc1nccn1CCC(=O)NCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide?
The InChIKey is YGLRPINCLCQJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-10-17-5-7-21(10)6-4-15(22)18-9-14-19-12-3-2-11(16)8-13(12)20-14/h2-3,5,7-8H,4,6,9H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide has a molecular weight of 301.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 77080225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).