7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine

C18H21N3 — CID 115552424

IUPAC7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(Cc3ccc(C(C)C)cc3)c12
InChIInChI=1S/C18H21N3/c1-12(2)15-9-7-14(8-10-15)11-21-17-13(3)5-4-6-16(17)20-18(21)19/h4-10,12H,11H2,1-3H3,(H2,19,20)
InChIKeyZLFAYMXINUJLSN-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.10
Rot. Bonds3

About 7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine

7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine (PubChem CID 115552424) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine
PubChem CID115552424
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(Cc3ccc(C(C)C)cc3)c12
InChIInChI=1S/C18H21N3/c1-12(2)15-9-7-14(8-10-15)11-21-17-13(3)5-4-6-16(17)20-18(21)19/h4-10,12H,11H2,1-3H3,(H2,19,20)
InChIKeyZLFAYMXINUJLSN-UHFFFAOYSA-N
XLogP4.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
CID 115552239
4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile
CID 115552449
7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 115552599
1-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-2-amine
CID 79296071
1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]-7-methylbenzimidazole
CID 115553407
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322
4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile
CID 62267212
1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine
CID 115552600
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole
CID 106900384
1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
CID 115552278
7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
CID 114129973

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine (CID 115552424) is 7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine is Cc1cccc2nc(N)n(Cc3ccc(C(C)C)cc3)c12.
What is the InChIKey of 7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine?
The InChIKey is ZLFAYMXINUJLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12(2)15-9-7-14(8-10-15)11-21-17-13(3)5-4-6-16(17)20-18(21)19/h4-10,12H,11H2,1-3H3,(H2,19,20).
What are the key properties of 7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine?
7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine has a molecular weight of 279.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 115552424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).