2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine

C16H19N5 — CID 62749627

IUPAC2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
SMILESCc1nccc(CNCCn2c(C)nc3ccccc32)n1
InChIInChI=1S/C16H19N5/c1-12-18-8-7-14(19-12)11-17-9-10-21-13(2)20-15-5-3-4-6-16(15)21/h3-8,17H,9-11H2,1-2H3
InChIKeyQSSXWSSHGIPKOW-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.23
Rot. Bonds5

About 2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine

2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine (PubChem CID 62749627) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
PubChem CID62749627
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
SMILESCc1nccc(CNCCn2c(C)nc3ccccc32)n1
InChIInChI=1S/C16H19N5/c1-12-18-8-7-14(19-12)11-17-9-10-21-13(2)20-15-5-3-4-6-16(15)21/h3-8,17H,9-11H2,1-2H3
InChIKeyQSSXWSSHGIPKOW-UHFFFAOYSA-N
XLogP2.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66410022
N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
CID 62345537
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
CID 61016402
1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 119126551
2-(azepan-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62748782
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
CID 102831213
5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine
CID 43103364
2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol
CID 51073480
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine (CID 62749627) is 2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine is Cc1nccc(CNCCn2c(C)nc3ccccc32)n1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The InChIKey is QSSXWSSHGIPKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12-18-8-7-14(19-12)11-17-9-10-21-13(2)20-15-5-3-4-6-16(15)21/h3-8,17H,9-11H2,1-2H3.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 62749627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).