N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide

C14H18N4O — CID 115159459

IUPACN-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide
SMILESCc1nc2ccc(N(C)C(=O)C3CCNC3)cc2[nH]1
InChIInChI=1S/C14H18N4O/c1-9-16-12-4-3-11(7-13(12)17-9)18(2)14(19)10-5-6-15-8-10/h3-4,7,10,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyQCVKITKODSHHEM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.44
Rot. Bonds2

About N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide

N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 115159459) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID115159459
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide
SMILESCc1nc2ccc(N(C)C(=O)C3CCNC3)cc2[nH]1
InChIInChI=1S/C14H18N4O/c1-9-16-12-4-3-11(7-13(12)17-9)18(2)14(19)10-5-6-15-8-10/h3-4,7,10,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyQCVKITKODSHHEM-UHFFFAOYSA-N
XLogP1.44
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide
CID 115159458
2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid
CID 115141265
2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115190207
2-amino-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 82493565
2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115161938
N-methyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 115159907
N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide
CID 115158786
3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
CID 110869413
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110866873
N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 115159889
N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119752994
N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 115159432

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide (CID 115159459) is N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide is Cc1nc2ccc(N(C)C(=O)C3CCNC3)cc2[nH]1.
What is the InChIKey of N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is QCVKITKODSHHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-16-12-4-3-11(7-13(12)17-9)18(2)14(19)10-5-6-15-8-10/h3-4,7,10,15H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide?
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115159459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).