6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine

C17H19N3O — CID 110375259

IUPAC6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine
SMILESCc1ccc2nc(Nc3ccc(OC(C)C)cc3)[nH]c2c1
InChIInChI=1S/C17H19N3O/c1-11(2)21-14-7-5-13(6-8-14)18-17-19-15-9-4-12(3)10-16(15)20-17/h4-11H,1-3H3,(H2,18,19,20)
InChIKeyCRKZLIHCUGKOBB-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.40
Rot. Bonds4

About 6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine

6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine (PubChem CID 110375259) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine
PubChem CID110375259
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine
SMILESCc1ccc2nc(Nc3ccc(OC(C)C)cc3)[nH]c2c1
InChIInChI=1S/C17H19N3O/c1-11(2)21-14-7-5-13(6-8-14)18-17-19-15-9-4-12(3)10-16(15)20-17/h4-11H,1-3H3,(H2,18,19,20)
InChIKeyCRKZLIHCUGKOBB-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 14666426
N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine
CID 110377206
6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine
CID 110376992
6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine
CID 110377051
6-methyl-N-[4-(propylsulfanylmethyl)phenyl]-1H-benzimidazol-2-amine
CID 110377229
3-[6-methoxy-2-(4-propan-2-yloxyanilino)-3H-benzimidazol-5-yl]propanoic acid
CID 139419513
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 19224771
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511877
6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
CID 82563483

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine (CID 110375259) is 6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine is Cc1ccc2nc(Nc3ccc(OC(C)C)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine?
The InChIKey is CRKZLIHCUGKOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11(2)21-14-7-5-13(6-8-14)18-17-19-15-9-4-12(3)10-16(15)20-17/h4-11H,1-3H3,(H2,18,19,20).
What are the key properties of 6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine?
6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine has a molecular weight of 281.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 110375259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).