N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide

C13H16N4O — CID 115159458

IUPACN-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CCNC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H16N4O/c1-17(13(18)9-4-5-14-7-9)10-2-3-11-12(6-10)16-8-15-11/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyHPONXARLEYONOZ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.14
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide

N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 115159458) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide
PubChem CID115159458
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CCNC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H16N4O/c1-17(13(18)9-4-5-14-7-9)10-2-3-11-12(6-10)16-8-15-11/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyHPONXARLEYONOZ-UHFFFAOYSA-N
XLogP1.14
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide
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CID 110869221
N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 115159889
N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 115159432
3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide
CID 115160757
N-(3,4-dihydro-2H-chromen-6-yl)-N-methylpyrrolidine-3-carboxamide
CID 115159450
N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
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N-(4-hydroxyphenyl)-N-methylpiperidine-4-carboxamide
CID 107734326

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide (CID 115159458) is N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide is CN(C(=O)C1CCNC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is HPONXARLEYONOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17(13(18)9-4-5-14-7-9)10-2-3-11-12(6-10)16-8-15-11/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,15,16).
What are the key properties of N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide?
N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 115159458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).