2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide

C22H24F2N4O2 — CID 56561284

IUPAC2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc3nc(C(F)F)[nH]c3c2)N2CCCC2)c1
InChIInChI=1S/C22H24F2N4O2/c1-30-16-6-4-5-14(11-16)19(28-9-2-3-10-28)13-25-22(29)15-7-8-17-18(12-15)27-21(26-17)20(23)24/h4-8,11-12,19-20H,2-3,9-10,13H2,1H3,(H,25,29)(H,26,27)
InChIKeySQTFKWYZNBBATJ-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.08
Rot. Bonds7

About 2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide

2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 56561284) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide
PubChem CID56561284
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc3nc(C(F)F)[nH]c3c2)N2CCCC2)c1
InChIInChI=1S/C22H24F2N4O2/c1-30-16-6-4-5-14(11-16)19(28-9-2-3-10-28)13-25-22(29)15-7-8-17-18(12-15)27-21(26-17)20(23)24/h4-8,11-12,19-20H,2-3,9-10,13H2,1H3,(H,25,29)(H,26,27)
InChIKeySQTFKWYZNBBATJ-UHFFFAOYSA-N
XLogP4.08
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005704
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 78803328
4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005778
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46437989
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide (CID 56561284) is 2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide is COc1cccc(C(CNC(=O)c2ccc3nc(C(F)F)[nH]c3c2)N2CCCC2)c1.
What is the InChIKey of 2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is SQTFKWYZNBBATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c1-30-16-6-4-5-14(11-16)19(28-9-2-3-10-28)13-25-22(29)15-7-8-17-18(12-15)27-21(26-17)20(23)24/h4-8,11-12,19-20H,2-3,9-10,13H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide?
2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56561284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).