4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole

C13H16ClN3 — CID 84633647

IUPAC4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
SMILESCn1c(CC2CCCN2)nc2c(Cl)cccc21
InChIInChI=1S/C13H16ClN3/c1-17-11-6-2-5-10(14)13(11)16-12(17)8-9-4-3-7-15-9/h2,5-6,9,15H,3-4,7-8H2,1H3
InChIKeyJHPOBTBDCOOSRH-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.52
Rot. Bonds2

About 4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole

4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole (PubChem CID 84633647) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
PubChem CID84633647
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
SMILESCn1c(CC2CCCN2)nc2c(Cl)cccc21
InChIInChI=1S/C13H16ClN3/c1-17-11-6-2-5-10(14)13(11)16-12(17)8-9-4-3-7-15-9/h2,5-6,9,15H,3-4,7-8H2,1H3
InChIKeyJHPOBTBDCOOSRH-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84637903
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 83858076
6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84630966
1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84636819
6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84646013
1-methyl-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 81456118
5-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252949
1-bromo-8-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254720
3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole
CID 117411537
4-chloro-2-(piperidin-2-ylmethyl)-1,3-benzothiazole
CID 84640324
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 61372509

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The IUPAC name of 4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole (CID 84633647) is 4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The canonical SMILES for 4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole is Cn1c(CC2CCCN2)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The InChIKey is JHPOBTBDCOOSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-17-11-6-2-5-10(14)13(11)16-12(17)8-9-4-3-7-15-9/h2,5-6,9,15H,3-4,7-8H2,1H3.
What are the key properties of 4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole has a molecular weight of 249.74 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 84633647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).