[3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone

C23H28N4O — CID 25031794

IUPAC[3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone
SMILESCCN(C)C1CCN(C(=O)c2ccc(Cn3cnc4cc(C)ccc43)cc2)C1
InChIInChI=1S/C23H28N4O/c1-4-25(3)20-11-12-26(15-20)23(28)19-8-6-18(7-9-19)14-27-16-24-21-13-17(2)5-10-22(21)27/h5-10,13,16,20H,4,11-12,14-15H2,1-3H3
InChIKeyHCQNTGCTJYYFSN-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.56
Rot. Bonds5

About [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone

[3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone (PubChem CID 25031794) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name[3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone
PubChem CID25031794
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name[3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone
SMILESCCN(C)C1CCN(C(=O)c2ccc(Cn3cnc4cc(C)ccc43)cc2)C1
InChIInChI=1S/C23H28N4O/c1-4-25(3)20-11-12-26(15-20)23(28)19-8-6-18(7-9-19)14-27-16-24-21-13-17(2)5-10-22(21)27/h5-10,13,16,20H,4,11-12,14-15H2,1-3H3
InChIKeyHCQNTGCTJYYFSN-UHFFFAOYSA-N
XLogP3.56
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone with MolForge

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Related Compounds

N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide
CID 71502389
[3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone
CID 25030894
1-benzyl-5-methylbenzimidazole
CID 12620837
2-[(3S)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 124985657
N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide
CID 167917392
[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 110441497
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
(2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124953688
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 124960963
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 125010912
1-[(4-boronophenyl)methyl]benzimidazole-5-carboxylic acid
CID 155710935
[(3R)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 129473614

Frequently Asked Questions

What is the IUPAC name of [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone?
The IUPAC name of [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone (CID 25031794) is [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone?
The canonical SMILES for [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone is CCN(C)C1CCN(C(=O)c2ccc(Cn3cnc4cc(C)ccc43)cc2)C1.
What is the InChIKey of [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone?
The InChIKey is HCQNTGCTJYYFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-4-25(3)20-11-12-26(15-20)23(28)19-8-6-18(7-9-19)14-27-16-24-21-13-17(2)5-10-22(21)27/h5-10,13,16,20H,4,11-12,14-15H2,1-3H3.
What are the key properties of [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone?
[3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone has a molecular weight of 376.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 25031794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).