2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine

C14H20N4 — CID 82067161

IUPAC2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
SMILESCc1nc2c(N)cccc2n1CCN1CCCC1
InChIInChI=1S/C14H20N4/c1-11-16-14-12(15)5-4-6-13(14)18(11)10-9-17-7-2-3-8-17/h4-6H,2-3,7-10,15H2,1H3
InChIKeySEKVPJXKLFAIQO-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.02
Rot. Bonds3

About 2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine

2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine (PubChem CID 82067161) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine.

Molecular Properties

Compound Name2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
PubChem CID82067161
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
SMILESCc1nc2c(N)cccc2n1CCN1CCCC1
InChIInChI=1S/C14H20N4/c1-11-16-14-12(15)5-4-6-13(14)18(11)10-9-17-7-2-3-8-17/h4-6H,2-3,7-10,15H2,1H3
InChIKeySEKVPJXKLFAIQO-UHFFFAOYSA-N
XLogP2.02
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine?
The IUPAC name of 2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine (CID 82067161) is 2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine.
What is the SMILES notation for 2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine?
The canonical SMILES for 2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine is Cc1nc2c(N)cccc2n1CCN1CCCC1.
What is the InChIKey of 2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine?
The InChIKey is SEKVPJXKLFAIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-16-14-12(15)5-4-6-13(14)18(11)10-9-17-7-2-3-8-17/h4-6H,2-3,7-10,15H2,1H3.
What are the key properties of 2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine?
2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine has a molecular weight of 244.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine is sourced from PubChem (CID 82067161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).