N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide

C19H21FN4O — CID 134809673

IUPACN-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccc(F)cc2)cc2ncn(C)c12
InChIInChI=1S/C19H21FN4O/c1-23(2)9-8-21-19(25)16-10-14(13-4-6-15(20)7-5-13)11-17-18(16)24(3)12-22-17/h4-7,10-12H,8-9H2,1-3H3,(H,21,25)
InChIKeyINXZNBPPMLLSBY-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide (PubChem CID 134809673) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide
PubChem CID134809673
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccc(F)cc2)cc2ncn(C)c12
InChIInChI=1S/C19H21FN4O/c1-23(2)9-8-21-19(25)16-10-14(13-4-6-15(20)7-5-13)11-17-18(16)24(3)12-22-17/h4-7,10-12H,8-9H2,1-3H3,(H,21,25)
InChIKeyINXZNBPPMLLSBY-UHFFFAOYSA-N
XLogP2.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide (CID 134809673) is N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccc(F)cc2)cc2ncn(C)c12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide?
The InChIKey is INXZNBPPMLLSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-23(2)9-8-21-19(25)16-10-14(13-4-6-15(20)7-5-13)11-17-18(16)24(3)12-22-17/h4-7,10-12H,8-9H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134809673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).