2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine

C15H18N4 — CID 66410022

IUPAC2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESCc1nc2ccccc2n1CCNCc1cc[nH]c1
InChIInChI=1S/C15H18N4/c1-12-18-14-4-2-3-5-15(14)19(12)9-8-17-11-13-6-7-16-10-13/h2-7,10,16-17H,8-9,11H2,1H3
InChIKeyRFIPSJXDQHMXLY-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.46
Rot. Bonds5

About 2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine

2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine (PubChem CID 66410022) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
PubChem CID66410022
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESCc1nc2ccccc2n1CCNCc1cc[nH]c1
InChIInChI=1S/C15H18N4/c1-12-18-14-4-2-3-5-15(14)19(12)9-8-17-11-13-6-7-16-10-13/h2-7,10,16-17H,8-9,11H2,1H3
InChIKeyRFIPSJXDQHMXLY-UHFFFAOYSA-N
XLogP2.46
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28712943
N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
CID 62345537
2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62749627
2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol
CID 51073480
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 119126551
2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol
CID 115144119
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
CID 102831213
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
3-(2-methylbenzimidazol-1-yl)propanal
CID 63041699
2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 62654333

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine (CID 66410022) is 2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine is Cc1nc2ccccc2n1CCNCc1cc[nH]c1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The InChIKey is RFIPSJXDQHMXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-12-18-14-4-2-3-5-15(14)19(12)9-8-17-11-13-6-7-16-10-13/h2-7,10,16-17H,8-9,11H2,1H3.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine has a molecular weight of 254.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine is sourced from PubChem (CID 66410022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).