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

C17H19N3O — CID 43746512

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCOc1ccc(C)cc1CNc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C17H19N3O/c1-11-4-7-17(21-3)13(8-11)10-18-14-5-6-15-16(9-14)20-12(2)19-15/h4-9,18H,10H2,1-3H3,(H,19,20)
InChIKeyGFEAIBKUBMJXJQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.80
Rot. Bonds4

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

N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine (PubChem CID 43746512) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
PubChem CID43746512
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCOc1ccc(C)cc1CNc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C17H19N3O/c1-11-4-7-17(21-3)13(8-11)10-18-14-5-6-15-16(9-14)20-12(2)19-15/h4-9,18H,10H2,1-3H3,(H,19,20)
InChIKeyGFEAIBKUBMJXJQ-UHFFFAOYSA-N
XLogP3.80
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 61038267
N-[(2-fluoro-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 103818702
N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62392283
N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746372
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzene-1,3-diol
CID 43746434
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746405
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 103934347
N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine
CID 43687874
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3H-benzimidazol-5-amine
CID 43791200
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 110772643

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine (CID 43746512) is N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine is COc1ccc(C)cc1CNc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is GFEAIBKUBMJXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-4-7-17(21-3)13(8-11)10-18-14-5-6-15-16(9-14)20-12(2)19-15/h4-9,18H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 43746512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).