2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline

C17H18ClN3 — CID 60786773

IUPAC2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2nc3cccc(Cl)c3n2C(C)C)c1
InChIInChI=1S/C17H18ClN3/c1-10(2)21-16-13(18)5-4-6-15(16)20-17(21)12-9-11(3)7-8-14(12)19/h4-10H,19H2,1-3H3
InChIKeyFSQOQVUECRAQQL-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.83
Rot. Bonds2

About 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline

2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline (PubChem CID 60786773) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline.

Molecular Properties

Compound Name2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline
PubChem CID60786773
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2nc3cccc(Cl)c3n2C(C)C)c1
InChIInChI=1S/C17H18ClN3/c1-10(2)21-16-13(18)5-4-6-15(16)20-17(21)12-9-11(3)7-8-14(12)19/h4-10H,19H2,1-3H3
InChIKeyFSQOQVUECRAQQL-UHFFFAOYSA-N
XLogP4.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.83
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

3-chloro-4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 61399197
3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 60788267
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol
CID 136789678
5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine
CID 60786771
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915467
[4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine
CID 114324638
(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 55108333
3-(7-chloro-1-methylbenzimidazol-2-yl)-4,5-dimethylaniline
CID 63020864
5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline
CID 54924343
3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 61230072
4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793614
7-chloro-1-(1-cyclopropylethyl)benzimidazol-2-amine
CID 43662113

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline?
The IUPAC name of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline (CID 60786773) is 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline.
What is the SMILES notation for 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline?
The canonical SMILES for 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline is Cc1ccc(N)c(-c2nc3cccc(Cl)c3n2C(C)C)c1.
What is the InChIKey of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline?
The InChIKey is FSQOQVUECRAQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-10(2)21-16-13(18)5-4-6-15(16)20-17(21)12-9-11(3)7-8-14(12)19/h4-10H,19H2,1-3H3.
What are the key properties of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline?
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline has a molecular weight of 299.81 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline is sourced from PubChem (CID 60786773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).