6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole

C13H16ClN3 — CID 84633641

IUPAC6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
SMILESCn1c(CC2CCNC2)nc2ccc(Cl)cc21
InChIInChI=1S/C13H16ClN3/c1-17-12-7-10(14)2-3-11(12)16-13(17)6-9-4-5-15-8-9/h2-3,7,9,15H,4-6,8H2,1H3
InChIKeyZVTKKLFEAHLZIR-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.38
Rot. Bonds2

About 6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole

6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole (PubChem CID 84633641) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
PubChem CID84633641
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
SMILESCn1c(CC2CCNC2)nc2ccc(Cl)cc21
InChIInChI=1S/C13H16ClN3/c1-17-12-7-10(14)2-3-11(12)16-13(17)6-9-4-5-15-8-9/h2-3,7,9,15H,4-6,8H2,1H3
InChIKeyZVTKKLFEAHLZIR-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858069
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile
CID 84629732
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858071
6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 115473348
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 84637794
4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84634258
1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762
5-chloro-2-(piperidin-4-ylmethyl)-1-propylbenzimidazole
CID 79615143
6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 115472334
2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712508
1-chloro-6-methyl-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117253632
1-methyl-5-methylsulfonyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 81456225

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole?
The IUPAC name of 6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole (CID 84633641) is 6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole is Cn1c(CC2CCNC2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole?
The InChIKey is ZVTKKLFEAHLZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-17-12-7-10(14)2-3-11(12)16-13(17)6-9-4-5-15-8-9/h2-3,7,9,15H,4-6,8H2,1H3.
What are the key properties of 6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole?
6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole has a molecular weight of 249.74 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 84633641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).