1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine

C20H23N3O — CID 158694216

IUPAC1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine
SMILESCc1cccc(Cn2c(NC3CCOCC3)nc3ccccc32)c1
InChIInChI=1S/C20H23N3O/c1-15-5-4-6-16(13-15)14-23-19-8-3-2-7-18(19)22-20(23)21-17-9-11-24-12-10-17/h2-8,13,17H,9-12,14H2,1H3,(H,21,22)
InChIKeyOHXULTJCTINQRJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.98
Rot. Bonds4

About 1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine

1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine (PubChem CID 158694216) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine
PubChem CID158694216
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine
SMILESCc1cccc(Cn2c(NC3CCOCC3)nc3ccccc32)c1
InChIInChI=1S/C20H23N3O/c1-15-5-4-6-16(13-15)14-23-19-8-3-2-7-18(19)22-20(23)21-17-9-11-24-12-10-17/h2-8,13,17H,9-12,14H2,1H3,(H,21,22)
InChIKeyOHXULTJCTINQRJ-UHFFFAOYSA-N
XLogP3.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649347
1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649355
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975159
1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
CID 15037387
1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole
CID 10342628
1-[(4-fluorophenyl)methyl]-N-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260437
1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
CID 129161943
2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 17001142

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine (CID 158694216) is 1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine is Cc1cccc(Cn2c(NC3CCOCC3)nc3ccccc32)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine?
The InChIKey is OHXULTJCTINQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-5-4-6-16(13-15)14-23-19-8-3-2-7-18(19)22-20(23)21-17-9-11-24-12-10-17/h2-8,13,17H,9-12,14H2,1H3,(H,21,22).
What are the key properties of 1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine?
1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine has a molecular weight of 321.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine is sourced from PubChem (CID 158694216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).