N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine

C17H19N3 — CID 62392283

IUPACN-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCCc1ccccc1CNc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C17H19N3/c1-3-13-6-4-5-7-14(13)11-18-15-8-9-16-17(10-15)20-12(2)19-16/h4-10,18H,3,11H2,1-2H3,(H,19,20)
InChIKeyYCYHAGXXRZEUJG-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.05
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine

N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine (PubChem CID 62392283) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
PubChem CID62392283
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCCc1ccccc1CNc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C17H19N3/c1-3-13-6-4-5-7-14(13)11-18-15-8-9-16-17(10-15)20-12(2)19-16/h4-10,18H,3,11H2,1-2H3,(H,19,20)
InChIKeyYCYHAGXXRZEUJG-UHFFFAOYSA-N
XLogP4.05
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746372
N-[(2-fluoro-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 103818702
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzene-1,3-diol
CID 43746434
N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746512
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746405
2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
CID 43746402
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3H-benzimidazol-5-amine
CID 43791200
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzoic acid
CID 65347579
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 61038267
2-methyl-N-[(3-nitrophenyl)methyl]-3H-benzimidazol-5-amine
CID 43232967
N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 55163006

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine (CID 62392283) is N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine is CCc1ccccc1CNc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is YCYHAGXXRZEUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-13-6-4-5-7-14(13)11-18-15-8-9-16-17(10-15)20-12(2)19-16/h4-10,18H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 265.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 62392283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).