2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine

C15H22N4 — CID 115209022

IUPAC2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESCc1nc2ccc(CCNCC3CCNC3)cc2[nH]1
InChIInChI=1S/C15H22N4/c1-11-18-14-3-2-12(8-15(14)19-11)4-6-16-9-13-5-7-17-10-13/h2-3,8,13,16-17H,4-7,9-10H2,1H3,(H,18,19)
InChIKeyZVDZZTAGTVNBJX-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.61
Rot. Bonds5

About 2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine

2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine (PubChem CID 115209022) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine
PubChem CID115209022
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESCc1nc2ccc(CCNCC3CCNC3)cc2[nH]1
InChIInChI=1S/C15H22N4/c1-11-18-14-3-2-12(8-15(14)19-11)4-6-16-9-13-5-7-17-10-13/h2-3,8,13,16-17H,4-7,9-10H2,1H3,(H,18,19)
InChIKeyZVDZZTAGTVNBJX-UHFFFAOYSA-N
XLogP1.61
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208960
N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine
CID 115207103
2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208978
2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791460
2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine
CID 116868530
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208972
2-(3-chloro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208973
2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
CID 116925567
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine (CID 115209022) is 2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine is Cc1nc2ccc(CCNCC3CCNC3)cc2[nH]1.
What is the InChIKey of 2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine?
The InChIKey is ZVDZZTAGTVNBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11-18-14-3-2-12(8-15(14)19-11)4-6-16-9-13-5-7-17-10-13/h2-3,8,13,16-17H,4-7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine?
2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine has a molecular weight of 258.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 115209022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).