2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline

C17H18ClN3 — CID 60785145

IUPAC2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
SMILESCCCn1c(-c2ccc(Cl)c(N)c2)nc2cc(C)ccc21
InChIInChI=1S/C17H18ClN3/c1-3-8-21-16-7-4-11(2)9-15(16)20-17(21)12-5-6-13(18)14(19)10-12/h4-7,9-10H,3,8,19H2,1-2H3
InChIKeyRYGPTSIHZYUMLB-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.66
Rot. Bonds3

About 2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline

2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline (PubChem CID 60785145) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
PubChem CID60785145
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
SMILESCCCn1c(-c2ccc(Cl)c(N)c2)nc2cc(C)ccc21
InChIInChI=1S/C17H18ClN3/c1-3-8-21-16-7-4-11(2)9-15(16)20-17(21)12-5-6-13(18)14(19)10-12/h4-7,9-10H,3,8,19H2,1-2H3
InChIKeyRYGPTSIHZYUMLB-UHFFFAOYSA-N
XLogP4.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60784511
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline
CID 60785537
2-bromo-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 107812775
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 104698494
5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 60784700
3-(1-butyl-5-methylbenzimidazol-2-yl)aniline
CID 82333006
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline
CID 60835546
4-bromo-3-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 115296231
[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
CID 82333100
2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline?
The IUPAC name of 2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline (CID 60785145) is 2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline?
The canonical SMILES for 2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline is CCCn1c(-c2ccc(Cl)c(N)c2)nc2cc(C)ccc21.
What is the InChIKey of 2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline?
The InChIKey is RYGPTSIHZYUMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-3-8-21-16-7-4-11(2)9-15(16)20-17(21)12-5-6-13(18)14(19)10-12/h4-7,9-10H,3,8,19H2,1-2H3.
What are the key properties of 2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline?
2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline has a molecular weight of 299.81 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 60785145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).