6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole

C15H21N3 — CID 84630966

IUPAC6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
SMILESCCc1ccc2nc(CC3CCCN3)n(C)c2c1
InChIInChI=1S/C15H21N3/c1-3-11-6-7-13-14(9-11)18(2)15(17-13)10-12-5-4-8-16-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3
InChIKeyTYUOAMQNECQPAY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.43
Rot. Bonds3

About 6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole

6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole (PubChem CID 84630966) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
PubChem CID84630966
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
SMILESCCc1ccc2nc(CC3CCCN3)n(C)c2c1
InChIInChI=1S/C15H21N3/c1-3-11-6-7-13-14(9-11)18(2)15(17-13)10-12-5-4-8-16-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3
InChIKeyTYUOAMQNECQPAY-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 83858076
3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 84641963
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
1-methyl-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 81456118
4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84633647
6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 115472334
[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine
CID 103167106
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 61372509
1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84636819
5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84639882
6-ethyl-1-methylbenzimidazol-2-amine
CID 84618336
5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84646012

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The IUPAC name of 6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole (CID 84630966) is 6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The canonical SMILES for 6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole is CCc1ccc2nc(CC3CCCN3)n(C)c2c1.
What is the InChIKey of 6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The InChIKey is TYUOAMQNECQPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-11-6-7-13-14(9-11)18(2)15(17-13)10-12-5-4-8-16-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3.
What are the key properties of 6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole has a molecular weight of 243.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 84630966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).