N-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide

C27H27FN4O — CID 66562065

IUPACN-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide
SMILESCC(C)CNc1cc(-c2ccc(F)cc2)cc2c1ncn2-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C27H27FN4O/c1-17(2)15-29-24-13-20(18-3-7-21(28)8-4-18)14-25-26(24)30-16-32(25)23-11-5-19(6-12-23)27(33)31-22-9-10-22/h3-8,11-14,16-17,22,29H,9-10,15H2,1-2H3,(H,31,33)
InChIKeyCWSZMHFYJBEHCT-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.79
Rot. Bonds7

About N-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide

N-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide (PubChem CID 66562065) has the molecular formula C27H27FN4O and a molecular weight of 442.54 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide
PubChem CID66562065
Molecular FormulaC27H27FN4O
Molecular Weight442.54 g/mol
Exact Mass442.22
IUPAC NameN-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide
SMILESCC(C)CNc1cc(-c2ccc(F)cc2)cc2c1ncn2-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C27H27FN4O/c1-17(2)15-29-24-13-20(18-3-7-21(28)8-4-18)14-25-26(24)30-16-32(25)23-11-5-19(6-12-23)27(33)31-22-9-10-22/h3-8,11-14,16-17,22,29H,9-10,15H2,1-2H3,(H,31,33)
InChIKeyCWSZMHFYJBEHCT-UHFFFAOYSA-N
XLogP5.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide (CID 66562065) is N-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide is CC(C)CNc1cc(-c2ccc(F)cc2)cc2c1ncn2-c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide?
The InChIKey is CWSZMHFYJBEHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O/c1-17(2)15-29-24-13-20(18-3-7-21(28)8-4-18)14-25-26(24)30-16-32(25)23-11-5-19(6-12-23)27(33)31-22-9-10-22/h3-8,11-14,16-17,22,29H,9-10,15H2,1-2H3,(H,31,33).
What are the key properties of N-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide?
N-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide has a molecular weight of 442.54 g/mol, XLogP of 5.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(4-fluorophenyl)-4-(2-methylpropylamino)benzimidazol-1-yl]benzamide is sourced from PubChem (CID 66562065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).