N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine

C18H21N3 — CID 62124742

IUPACN-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1-n1cnc2ccccc21
InChIInChI=1S/C18H21N3/c1-13(2)19-11-15-8-9-17(14(3)10-15)21-12-20-16-6-4-5-7-18(16)21/h4-10,12-13,19H,11H2,1-3H3
InChIKeyYWRGXXZQGYQPEP-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.83
Rot. Bonds4

About N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine

N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine (PubChem CID 62124742) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine
PubChem CID62124742
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1-n1cnc2ccccc21
InChIInChI=1S/C18H21N3/c1-13(2)19-11-15-8-9-17(14(3)10-15)21-12-20-16-6-4-5-7-18(16)21/h4-10,12-13,19H,11H2,1-3H3
InChIKeyYWRGXXZQGYQPEP-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine
CID 63815534
N-[[4-(benzimidazol-1-yl)-3-fluorophenyl]methyl]ethanamine
CID 43282216
N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66450549
1-(2-bromo-4-propan-2-ylphenyl)benzimidazole
CID 174453392
N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine
CID 62123852
3-(benzimidazol-1-yl)-4-methylaniline
CID 82512834
N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine
CID 62121009
[4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine
CID 141496623
1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64782497
N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine
CID 82495016
1-(2-ethylphenyl)benzimidazole
CID 22078308
(1S)-1-[2-(benzimidazol-1-yl)phenyl]ethanol
CID 78941271

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine (CID 62124742) is N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)ccc1-n1cnc2ccccc21.
What is the InChIKey of N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is YWRGXXZQGYQPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13(2)19-11-15-8-9-17(14(3)10-15)21-12-20-16-6-4-5-7-18(16)21/h4-10,12-13,19H,11H2,1-3H3.
What are the key properties of N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine?
N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 279.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 62124742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).