1-(4-butylphenyl)-5-methylbenzimidazol-2-amine

C18H21N3 — CID 43662088

IUPAC1-(4-butylphenyl)-5-methylbenzimidazol-2-amine
SMILESCCCCc1ccc(-n2c(N)nc3cc(C)ccc32)cc1
InChIInChI=1S/C18H21N3/c1-3-4-5-14-7-9-15(10-8-14)21-17-11-6-13(2)12-16(17)20-18(21)19/h6-12H,3-5H2,1-2H3,(H2,19,20)
InChIKeyRDLHFGPUOHDTDU-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.26
Rot. Bonds4

About 1-(4-butylphenyl)-5-methylbenzimidazol-2-amine

1-(4-butylphenyl)-5-methylbenzimidazol-2-amine (PubChem CID 43662088) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(4-butylphenyl)-5-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-butylphenyl)-5-methylbenzimidazol-2-amine
PubChem CID43662088
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-(4-butylphenyl)-5-methylbenzimidazol-2-amine
SMILESCCCCc1ccc(-n2c(N)nc3cc(C)ccc32)cc1
InChIInChI=1S/C18H21N3/c1-3-4-5-14-7-9-15(10-8-14)21-17-11-6-13(2)12-16(17)20-18(21)19/h6-12H,3-5H2,1-2H3,(H2,19,20)
InChIKeyRDLHFGPUOHDTDU-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-5-methylbenzimidazol-2-amine
CID 43661852
2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole
CID 43666954
6-chloro-1-(4-propylphenyl)benzimidazol-2-amine
CID 115470439
5-methyl-1-(2-methylphenyl)benzimidazol-2-amine
CID 43661880
3-(2-amino-5-methylbenzimidazol-1-yl)phenol
CID 84799591
1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
CID 43661501
3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 123999534
4-(2-amino-6-methylbenzimidazol-1-yl)phenol
CID 84799602
5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole
CID 129133621
5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 43661850
5-iodo-1-(4-iodophenyl)benzimidazol-2-amine
CID 66082572
1-(2-iodophenyl)-5-methylbenzimidazol-2-amine
CID 43661748

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-5-methylbenzimidazol-2-amine?
The IUPAC name of 1-(4-butylphenyl)-5-methylbenzimidazol-2-amine (CID 43662088) is 1-(4-butylphenyl)-5-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(4-butylphenyl)-5-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(4-butylphenyl)-5-methylbenzimidazol-2-amine is CCCCc1ccc(-n2c(N)nc3cc(C)ccc32)cc1.
What is the InChIKey of 1-(4-butylphenyl)-5-methylbenzimidazol-2-amine?
The InChIKey is RDLHFGPUOHDTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-4-5-14-7-9-15(10-8-14)21-17-11-6-13(2)12-16(17)20-18(21)19/h6-12H,3-5H2,1-2H3,(H2,19,20).
What are the key properties of 1-(4-butylphenyl)-5-methylbenzimidazol-2-amine?
1-(4-butylphenyl)-5-methylbenzimidazol-2-amine has a molecular weight of 279.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-5-methylbenzimidazol-2-amine is sourced from PubChem (CID 43662088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).