N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide

C17H18F3N5O — CID 118775554

IUPACN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide
SMILESCn1c(CNC(=O)CCCn2cccn2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H18F3N5O/c1-24-14-6-5-12(17(18,19)20)10-13(14)23-15(24)11-21-16(26)4-2-8-25-9-3-7-22-25/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,21,26)
InChIKeyRTNLYURWRSZFFO-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.89
Rot. Bonds6

About N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide

N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide (PubChem CID 118775554) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide
PubChem CID118775554
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC NameN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide
SMILESCn1c(CNC(=O)CCCn2cccn2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H18F3N5O/c1-24-14-6-5-12(17(18,19)20)10-13(14)23-15(24)11-21-16(26)4-2-8-25-9-3-7-22-25/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,21,26)
InChIKeyRTNLYURWRSZFFO-UHFFFAOYSA-N
XLogP2.89
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide (CID 118775554) is N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide is Cn1c(CNC(=O)CCCn2cccn2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is RTNLYURWRSZFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c1-24-14-6-5-12(17(18,19)20)10-13(14)23-15(24)11-21-16(26)4-2-8-25-9-3-7-22-25/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,21,26).
What are the key properties of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide?
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 365.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 118775554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).