3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide

C22H26ClN5O — CID 166183225

IUPAC3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCN(Cc1ccccc1)C1CCN(C(=O)NCc2nc3cc(Cl)ccc3n2C)C1
InChIInChI=1S/C22H26ClN5O/c1-26(14-16-6-4-3-5-7-16)18-10-11-28(15-18)22(29)24-13-21-25-19-12-17(23)8-9-20(19)27(21)2/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,24,29)
InChIKeyCVFWMSLNAURTQV-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.64
Rot. Bonds5

About 3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide

3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 166183225) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID166183225
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCN(Cc1ccccc1)C1CCN(C(=O)NCc2nc3cc(Cl)ccc3n2C)C1
InChIInChI=1S/C22H26ClN5O/c1-26(14-16-6-4-3-5-7-16)18-10-11-28(15-18)22(29)24-13-21-25-19-12-17(23)8-9-20(19)27(21)2/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,24,29)
InChIKeyCVFWMSLNAURTQV-UHFFFAOYSA-N
XLogP3.64
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
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2-((6-chloro-1H-benzo[d]imidazol-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamidine
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(S)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(pyrrolidin-3-ylamino)quinolin-2(1H)-one
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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide (CID 166183225) is 3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide is CN(Cc1ccccc1)C1CCN(C(=O)NCc2nc3cc(Cl)ccc3n2C)C1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is CVFWMSLNAURTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O/c1-26(14-16-6-4-3-5-7-16)18-10-11-28(15-18)22(29)24-13-21-25-19-12-17(23)8-9-20(19)27(21)2/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,24,29).
What are the key properties of 3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide?
3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 411.94 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 166183225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).