5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole

C15H20ClN3 — CID 106983205

IUPAC5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
SMILESCC(C)C1(c2nc3cc(Cl)ccc3n2C)CCNC1
InChIInChI=1S/C15H20ClN3/c1-10(2)15(6-7-17-9-15)14-18-12-8-11(16)4-5-13(12)19(14)3/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyHCMQOJCOIAAHKQ-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.11
Rot. Bonds2

About 5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole

5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole (PubChem CID 106983205) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
PubChem CID106983205
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
SMILESCC(C)C1(c2nc3cc(Cl)ccc3n2C)CCNC1
InChIInChI=1S/C15H20ClN3/c1-10(2)15(6-7-17-9-15)14-18-12-8-11(16)4-5-13(12)19(14)3/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyHCMQOJCOIAAHKQ-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983270
6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983266
6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983234
6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 113316532
6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole
CID 113316558
1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983190
[1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450556
3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine
CID 83891535
5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole
CID 63144239
1-propan-2-yl-2-(3-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-c]pyridine
CID 106983249
5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 63144326
1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144192

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole (CID 106983205) is 5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole is CC(C)C1(c2nc3cc(Cl)ccc3n2C)CCNC1.
What is the InChIKey of 5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The InChIKey is HCMQOJCOIAAHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-10(2)15(6-7-17-9-15)14-18-12-8-11(16)4-5-13(12)19(14)3/h4-5,8,10,17H,6-7,9H2,1-3H3.
What are the key properties of 5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole has a molecular weight of 277.80 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 106983205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).