N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

C23H27F2N5O2 — CID 42928507

IUPACN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)NCC(C)c2nc3ccccc3n2C(F)F)cc1
InChIInChI=1S/C23H27F2N5O2/c1-14(2)28-23(32)27-13-16-8-10-17(11-9-16)21(31)26-12-15(3)20-29-18-6-4-5-7-19(18)30(20)22(24)25/h4-11,14-15,22H,12-13H2,1-3H3,(H,26,31)(H2,27,28,32)
InChIKeyWVLPXNQZFLUOIX-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.17
Rot. Bonds8

About N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (PubChem CID 42928507) has the molecular formula C23H27F2N5O2 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
PubChem CID42928507
Molecular FormulaC23H27F2N5O2
Molecular Weight443.50 g/mol
Exact Mass443.21
IUPAC NameN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)NCC(C)c2nc3ccccc3n2C(F)F)cc1
InChIInChI=1S/C23H27F2N5O2/c1-14(2)28-23(32)27-13-16-8-10-17(11-9-16)21(31)26-12-15(3)20-29-18-6-4-5-7-19(18)30(20)22(24)25/h4-11,14-15,22H,12-13H2,1-3H3,(H,26,31)(H2,27,28,32)
InChIKeyWVLPXNQZFLUOIX-UHFFFAOYSA-N
XLogP4.17
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 17481526
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42928503
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide
CID 42928501
5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 42928516
N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide
CID 51931515
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide
CID 18129742
N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 25388372
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9369212
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-4-(2-phenylethynyl)benzamide
CID 24597937

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The IUPAC name of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (CID 42928507) is N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The canonical SMILES for N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is CC(C)NC(=O)NCc1ccc(C(=O)NCC(C)c2nc3ccccc3n2C(F)F)cc1.
What is the InChIKey of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The InChIKey is WVLPXNQZFLUOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N5O2/c1-14(2)28-23(32)27-13-16-8-10-17(11-9-16)21(31)26-12-15(3)20-29-18-6-4-5-7-19(18)30(20)22(24)25/h4-11,14-15,22H,12-13H2,1-3H3,(H,26,31)(H2,27,28,32).
What are the key properties of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide has a molecular weight of 443.50 g/mol, XLogP of 4.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 42928507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).