[4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

C20H22N4O — CID 119649370

IUPAC[4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCCN1C(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C20H22N4O/c1-21-13-17-5-4-12-23(17)20(25)15-8-10-16(11-9-15)24-14-22-18-6-2-3-7-19(18)24/h2-3,6-11,14,17,21H,4-5,12-13H2,1H3
InChIKeyMGGGTEAULALKQT-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.85
Rot. Bonds4

About [4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

[4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119649370) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119649370
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCCN1C(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C20H22N4O/c1-21-13-17-5-4-12-23(17)20(25)15-8-10-16(11-9-15)24-14-22-18-6-2-3-7-19(18)24/h2-3,6-11,14,17,21H,4-5,12-13H2,1H3
InChIKeyMGGGTEAULALKQT-UHFFFAOYSA-N
XLogP2.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488829
(4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650241
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 115316307
[4-(benzimidazol-1-yl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 22109870
1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 119649565
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807625
[4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570334
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119649052
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
4-(benzimidazol-1-yl)-N-cyclopentylbenzamide
CID 22110686

Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119649370) is [4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCCN1C(=O)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of [4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MGGGTEAULALKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-21-13-17-5-4-12-23(17)20(25)15-8-10-16(11-9-15)24-14-22-18-6-2-3-7-19(18)24/h2-3,6-11,14,17,21H,4-5,12-13H2,1H3.
What are the key properties of [4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
[4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119649370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).