N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide

C16H20F2N4O — CID 135112310

IUPACN-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
SMILESCc1[nH]cnc1CN(CCN(C)C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N4O/c1-11-15(20-10-19-11)9-22(7-6-21(2)3)16(23)12-4-5-13(17)14(18)8-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,20)
InChIKeySLDKZMWPLZTIJY-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.20
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide

N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide (PubChem CID 135112310) has the molecular formula C16H20F2N4O and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
PubChem CID135112310
Molecular FormulaC16H20F2N4O
Molecular Weight322.36 g/mol
Exact Mass322.16
IUPAC NameN-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
SMILESCc1[nH]cnc1CN(CCN(C)C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N4O/c1-11-15(20-10-19-11)9-22(7-6-21(2)3)16(23)12-4-5-13(17)14(18)8-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,20)
InChIKeySLDKZMWPLZTIJY-UHFFFAOYSA-N
XLogP2.20
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide (CID 135112310) is N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide is Cc1[nH]cnc1CN(CCN(C)C)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide?
The InChIKey is SLDKZMWPLZTIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O/c1-11-15(20-10-19-11)9-22(7-6-21(2)3)16(23)12-4-5-13(17)14(18)8-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide?
N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide has a molecular weight of 322.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide is sourced from PubChem (CID 135112310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).