3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide

C24H30N4O — CID 131903613

IUPAC3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide
SMILESCc1ccccc1CN1CCC(CNC(=O)CCn2c(C)nc3ccccc32)C1
InChIInChI=1S/C24H30N4O/c1-18-7-3-4-8-21(18)17-27-13-11-20(16-27)15-25-24(29)12-14-28-19(2)26-22-9-5-6-10-23(22)28/h3-10,20H,11-17H2,1-2H3,(H,25,29)
InChIKeyMJHFPOYKUNIFQV-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.68
Rot. Bonds7

About 3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide

3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide (PubChem CID 131903613) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide
PubChem CID131903613
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide
SMILESCc1ccccc1CN1CCC(CNC(=O)CCn2c(C)nc3ccccc32)C1
InChIInChI=1S/C24H30N4O/c1-18-7-3-4-8-21(18)17-27-13-11-20(16-27)15-25-24(29)12-14-28-19(2)26-22-9-5-6-10-23(22)28/h3-10,20H,11-17H2,1-2H3,(H,25,29)
InChIKeyMJHFPOYKUNIFQV-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide 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

N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide
CID 125156142
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324455
2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 95199376
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 125168955
5-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 118778620
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 124750984
3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111353062
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70767251
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide (CID 131903613) is 3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide is Cc1ccccc1CN1CCC(CNC(=O)CCn2c(C)nc3ccccc32)C1.
What is the InChIKey of 3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is MJHFPOYKUNIFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18-7-3-4-8-21(18)17-27-13-11-20(16-27)15-25-24(29)12-14-28-19(2)26-22-9-5-6-10-23(22)28/h3-10,20H,11-17H2,1-2H3,(H,25,29).
What are the key properties of 3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide?
3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 390.53 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 131903613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).