ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole

C18H31N3 — CID 145062266

IUPACethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
SMILESCC.CC.Cc1ccc2ncn(CCN3CCCC3)c2c1
InChIInChI=1S/C14H19N3.2C2H6/c1-12-4-5-13-14(10-12)17(11-15-13)9-8-16-6-2-3-7-16;2*1-2/h4-5,10-11H,2-3,6-9H2,1H3;2*1-2H3
InChIKeyVNXBGLXKIIGQSR-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.49
Rot. Bonds3

About ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole

ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole (PubChem CID 145062266) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole.

Molecular Properties

Compound Nameethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
PubChem CID145062266
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Nameethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
SMILESCC.CC.Cc1ccc2ncn(CCN3CCCC3)c2c1
InChIInChI=1S/C14H19N3.2C2H6/c1-12-4-5-13-14(10-12)17(11-15-13)9-8-16-6-2-3-7-16;2*1-2/h4-5,10-11H,2-3,6-9H2,1H3;2*1-2H3
InChIKeyVNXBGLXKIIGQSR-UHFFFAOYSA-N
XLogP4.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-propylbenzimidazole
CID 122608641
5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 69079010
5-[2-[5-(4-methylphenyl)-2-pyridinyl]ethynyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 142890004
6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole
CID 95909409
1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane
CID 145068592
5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 24903989
6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 69074163
2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62640925
(6-methylbenzimidazol-1-yl)thallium
CID 142243531
N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53041061
1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243885
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole?
The IUPAC name of ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole (CID 145062266) is ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole.
What is the SMILES notation for ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole?
The canonical SMILES for ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole is CC.CC.Cc1ccc2ncn(CCN3CCCC3)c2c1.
What is the InChIKey of ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole?
The InChIKey is VNXBGLXKIIGQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.2C2H6/c1-12-4-5-13-14(10-12)17(11-15-13)9-8-16-6-2-3-7-16;2*1-2/h4-5,10-11H,2-3,6-9H2,1H3;2*1-2H3.
What are the key properties of ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole?
ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole has a molecular weight of 289.47 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole is sourced from PubChem (CID 145062266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).