1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide

C19H20N4O — CID 110692640

IUPAC1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccc21
InChIInChI=1S/C19H20N4O/c1-22-13-20-17-12-14(4-9-18(17)22)19(24)21-15-5-7-16(8-6-15)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,24)
InChIKeyYHJGBVSWQWMMGJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.43
Rot. Bonds3

About 1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide

1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide (PubChem CID 110692640) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide
PubChem CID110692640
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccc21
InChIInChI=1S/C19H20N4O/c1-22-13-20-17-12-14(4-9-18(17)22)19(24)21-15-5-7-16(8-6-15)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,24)
InChIKeyYHJGBVSWQWMMGJ-UHFFFAOYSA-N
XLogP3.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775922
N-(4-piperidin-1-ylphenyl)pyrido[2,3-b]pyrazine-7-carboxamide
CID 110862212
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268
2-amino-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 110862205
1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide
CID 131938687
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide
CID 26289690
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide (CID 110692640) is 1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide is Cn1cnc2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccc21.
What is the InChIKey of 1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide?
The InChIKey is YHJGBVSWQWMMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-13-20-17-12-14(4-9-18(17)22)19(24)21-15-5-7-16(8-6-15)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,24).
What are the key properties of 1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide?
1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 110692640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).