N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide

C22H22F2N4O — CID 18129742

IUPACN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide
SMILESCC(CNC(=O)CCn1ccc2ccccc21)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C22H22F2N4O/c1-15(21-26-17-7-3-5-9-19(17)28(21)22(23)24)14-25-20(29)11-13-27-12-10-16-6-2-4-8-18(16)27/h2-10,12,15,22H,11,13-14H2,1H3,(H,25,29)
InChIKeyOPMCQCLKVRMXIO-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.70
Rot. Bonds7

About N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide

N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide (PubChem CID 18129742) has the molecular formula C22H22F2N4O and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide
PubChem CID18129742
Molecular FormulaC22H22F2N4O
Molecular Weight396.44 g/mol
Exact Mass396.18
IUPAC NameN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide
SMILESCC(CNC(=O)CCn1ccc2ccccc21)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C22H22F2N4O/c1-15(21-26-17-7-3-5-9-19(17)28(21)22(23)24)14-25-20(29)11-13-27-12-10-16-6-2-4-8-18(16)27/h2-10,12,15,22H,11,13-14H2,1H3,(H,25,29)
InChIKeyOPMCQCLKVRMXIO-UHFFFAOYSA-N
XLogP4.70
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 25388372
3-(3-indol-1-ylpropanoylamino)-2-methylpropanoic acid
CID 119236973
3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91639142
N-(3-hydroxybutyl)-3-indol-1-ylpropanamide
CID 111429170
N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide
CID 51931515
5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 42928516
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 17481526
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 42928507
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42928503
2-[2-(3-indol-1-ylpropanoylamino)ethoxy]propanoic acid
CID 110495262
3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 124862718
(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine
CID 41088280

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide?
The IUPAC name of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide (CID 18129742) is N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide.
What is the SMILES notation for N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide?
The canonical SMILES for N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide is CC(CNC(=O)CCn1ccc2ccccc21)c1nc2ccccc2n1C(F)F.
What is the InChIKey of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide?
The InChIKey is OPMCQCLKVRMXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O/c1-15(21-26-17-7-3-5-9-19(17)28(21)22(23)24)14-25-20(29)11-13-27-12-10-16-6-2-4-8-18(16)27/h2-10,12,15,22H,11,13-14H2,1H3,(H,25,29).
What are the key properties of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide?
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide has a molecular weight of 396.44 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 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]-3-indol-1-ylpropanamide is sourced from PubChem (CID 18129742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).