N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline

C18H21N3 — CID 104698494

IUPACN-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
SMILESCCCn1c(-c2ccc(NC)cc2)nc2cc(C)ccc21
InChIInChI=1S/C18H21N3/c1-4-11-21-17-10-5-13(2)12-16(17)20-18(21)14-6-8-15(19-3)9-7-14/h5-10,12,19H,4,11H2,1-3H3
InChIKeyUNBDUQMTVJMOKW-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.46
Rot. Bonds4

About N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline

N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline (PubChem CID 104698494) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
PubChem CID104698494
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
SMILESCCCn1c(-c2ccc(NC)cc2)nc2cc(C)ccc21
InChIInChI=1S/C18H21N3/c1-4-11-21-17-10-5-13(2)12-16(17)20-18(21)14-6-8-15(19-3)9-7-14/h5-10,12,19H,4,11H2,1-3H3
InChIKeyUNBDUQMTVJMOKW-UHFFFAOYSA-N
XLogP4.46
TPSA29.85 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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline
CID 104698561
2-bromo-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 107812775
2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 60785145
2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444
2-bromo-5-methyl-1-propylbenzimidazole
CID 84804393
[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
CID 82333100
4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline
CID 104698565
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
CID 60785471
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
4-bromo-3-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 115296231

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline?
The IUPAC name of N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline (CID 104698494) is N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline.
What is the SMILES notation for N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline?
The canonical SMILES for N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline is CCCn1c(-c2ccc(NC)cc2)nc2cc(C)ccc21.
What is the InChIKey of N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline?
The InChIKey is UNBDUQMTVJMOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-4-11-21-17-10-5-13(2)12-16(17)20-18(21)14-6-8-15(19-3)9-7-14/h5-10,12,19H,4,11H2,1-3H3.
What are the key properties of N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline?
N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline has a molecular weight of 279.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 104698494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).