7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine

C18H21N3 — CID 115552403

IUPAC7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C(C)CCc3ccccc3)c12
InChIInChI=1S/C18H21N3/c1-13-7-6-10-16-17(13)21(18(19)20-16)14(2)11-12-15-8-4-3-5-9-15/h3-10,14H,11-12H2,1-2H3,(H2,19,20)
InChIKeyZCERUBUUBNMLDK-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.12
Rot. Bonds4

About 7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine

7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine (PubChem CID 115552403) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine
PubChem CID115552403
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C(C)CCc3ccccc3)c12
InChIInChI=1S/C18H21N3/c1-13-7-6-10-16-17(13)21(18(19)20-16)14(2)11-12-15-8-4-3-5-9-15/h3-10,14H,11-12H2,1-2H3,(H2,19,20)
InChIKeyZCERUBUUBNMLDK-UHFFFAOYSA-N
XLogP4.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
CID 114129973
1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine
CID 115552367
7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 113333995
1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine
CID 115552380
2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid
CID 82358989
7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine
CID 115552424
1-(6-aminohexan-2-yl)-7-ethynylbenzimidazol-2-amine
CID 170945622
5-methyl-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 81135372
2-(2-chloroethyl)-1-hexan-2-yl-7-methylbenzimidazole
CID 115553382
2-ethylsulfanyl-3-(4-phenylbutan-2-yl)quinazolin-4-one
CID 175652030
2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol
CID 155774431
2-[[5-amino-4-(4-phenylbutan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64573913

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine?
The IUPAC name of 7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine (CID 115552403) is 7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine is Cc1cccc2nc(N)n(C(C)CCc3ccccc3)c12.
What is the InChIKey of 7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine?
The InChIKey is ZCERUBUUBNMLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13-7-6-10-16-17(13)21(18(19)20-16)14(2)11-12-15-8-4-3-5-9-15/h3-10,14H,11-12H2,1-2H3,(H2,19,20).
What are the key properties of 7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine?
7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine has a molecular weight of 279.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 115552403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).