N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide

C24H30N4O — CID 110630522

IUPACN-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(CN2CCCC2C(=O)NCCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C24H30N4O/c1-18-8-5-9-20(16-18)17-27-14-6-12-23(27)24(29)25-13-7-15-28-19(2)26-21-10-3-4-11-22(21)28/h3-5,8-11,16,23H,6-7,12-15,17H2,1-2H3,(H,25,29)
InChIKeyTYKIIOUUDBMTQW-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.82
Rot. Bonds7

About N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide

N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 110630522) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID110630522
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(CN2CCCC2C(=O)NCCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C24H30N4O/c1-18-8-5-9-20(16-18)17-27-14-6-12-23(27)24(29)25-13-7-15-28-19(2)26-21-10-3-4-11-22(21)28/h3-5,8-11,16,23H,6-7,12-15,17H2,1-2H3,(H,25,29)
InChIKeyTYKIIOUUDBMTQW-UHFFFAOYSA-N
XLogP3.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide
CID 110427724
N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110627319
N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110419524
N,N-dimethyl-1-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 111352426
N,N-dimethyl-1-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide;hydroiodide
CID 111352425
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxoacetamide
CID 125141826
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
(2S,4S)-2-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 120632096
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975159
(2R)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308396
(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308397
1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 47238303

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide (CID 110630522) is N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide is Cc1cccc(CN2CCCC2C(=O)NCCCn2c(C)nc3ccccc32)c1.
What is the InChIKey of N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is TYKIIOUUDBMTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18-8-5-9-20(16-18)17-27-14-6-12-23(27)24(29)25-13-7-15-28-19(2)26-21-10-3-4-11-22(21)28/h3-5,8-11,16,23H,6-7,12-15,17H2,1-2H3,(H,25,29).
What are the key properties of N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110630522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).