(2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide

C20H20F2N4O — CID 129468678

IUPAC(2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cn2cnc3ccccc32)cc1)[C@H]1CC(F)(F)CN1
InChIInChI=1S/C20H20F2N4O/c21-20(22)9-17(24-12-20)19(27)23-10-14-5-7-15(8-6-14)11-26-13-25-16-3-1-2-4-18(16)26/h1-8,13,17,24H,9-12H2,(H,23,27)/t17-/m1/s1
InChIKeyKMQQXIRGGPQSPT-QGZVFWFLSA-N
MW370.40 g/mol
LogP2.70
Rot. Bonds5

About (2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide

(2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide (PubChem CID 129468678) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is (2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide
PubChem CID129468678
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name(2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cn2cnc3ccccc32)cc1)[C@H]1CC(F)(F)CN1
InChIInChI=1S/C20H20F2N4O/c21-20(22)9-17(24-12-20)19(27)23-10-14-5-7-15(8-6-14)11-26-13-25-16-3-1-2-4-18(16)26/h1-8,13,17,24H,9-12H2,(H,23,27)/t17-/m1/s1
InChIKeyKMQQXIRGGPQSPT-QGZVFWFLSA-N
XLogP2.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122081440
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119868677
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
CID 99777967
(2S,5R)-5-(aminomethyl)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120799328
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-butylurea
CID 48915751
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 60604713
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119868689
1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 49046964
3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 49086261
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 49047342
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014574
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide (CID 129468678) is (2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide is O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)[C@H]1CC(F)(F)CN1.
What is the InChIKey of (2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide?
The InChIKey is KMQQXIRGGPQSPT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20F2N4O/c21-20(22)9-17(24-12-20)19(27)23-10-14-5-7-15(8-6-14)11-26-13-25-16-3-1-2-4-18(16)26/h1-8,13,17,24H,9-12H2,(H,23,27)/t17-/m1/s1.
What are the key properties of (2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide?
(2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 129468678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).