1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole

C20H27N5 — CID 95630599

IUPAC1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole
SMILESCC(C)c1nccn1C[C@H]1CCCN1Cc1nc2ccccc2n1C
InChIInChI=1S/C20H27N5/c1-15(2)20-21-10-12-25(20)13-16-7-6-11-24(16)14-19-22-17-8-4-5-9-18(17)23(19)3/h4-5,8-10,12,15-16H,6-7,11,13-14H2,1-3H3/t16-/m1/s1
InChIKeyDBMSRLSVPATPFC-MRXNPFEDSA-N
MW337.47 g/mol
LogP3.56
Rot. Bonds5

About 1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole

1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole (PubChem CID 95630599) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole
PubChem CID95630599
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole
SMILESCC(C)c1nccn1C[C@H]1CCCN1Cc1nc2ccccc2n1C
InChIInChI=1S/C20H27N5/c1-15(2)20-21-10-12-25(20)13-16-7-6-11-24(16)14-19-22-17-8-4-5-9-18(17)23(19)3/h4-5,8-10,12,15-16H,6-7,11,13-14H2,1-3H3/t16-/m1/s1
InChIKeyDBMSRLSVPATPFC-MRXNPFEDSA-N
XLogP3.56
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole 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-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline
CID 95630596
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 102222312
1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole
CID 124943222
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43195903
(S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol
CID 99827979
1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95315384
1-methyl-2-[[(1S,4S)-5-[(1-methylbenzimidazol-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzimidazole
CID 102484209
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166417
2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole
CID 95751027
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70750788
N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125011127

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole (CID 95630599) is 1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole is CC(C)c1nccn1C[C@H]1CCCN1Cc1nc2ccccc2n1C.
What is the InChIKey of 1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole?
The InChIKey is DBMSRLSVPATPFC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N5/c1-15(2)20-21-10-12-25(20)13-16-7-6-11-24(16)14-19-22-17-8-4-5-9-18(17)23(19)3/h4-5,8-10,12,15-16H,6-7,11,13-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole?
1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole has a molecular weight of 337.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 95630599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).